Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

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Guanidine Thiocyanate (White Crystalline Powder), Fisher BioReagents™

CAS: 593-84-0 Molecular Formula: C₂H₆N₄S Synonym: Guanidinium Isothiocyanate

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CAS	593-84-0
Synonym	Guanidinium Isothiocyanate
Molecular Formula	C₂H₆N₄S

Gelatin Type B (Laboratory), Fisher Chemical™

CAS: 105-58-8,9000-70-8 Molecular Formula: Varies MDL Number: MFCD00081638 Synonym: 100 Bloom,Gelfoam

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CAS	105-58-8,9000-70-8
MDL Number	MFCD00081638
Synonym	100 Bloom,Gelfoam
Molecular Formula	Varies

Pepstatin A, Fisher BioReagents

CAS: 26305-03-3 Molecular Formula: C34H63N5O9 Molecular Weight (g/mol): 685.904 InChI Key: FAXGPCHRFPCXOO-WQILDUGRSA-N Synonym: pepstatin a PubChem CID: 131801262 IUPAC Name: (3R,4S)-3-hydroxy-4-[[(2R)-2-[[(3R,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid SMILES: CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O

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PubChem CID	131801262
CAS	26305-03-3
Molecular Weight (g/mol)	685.904
SMILES	CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O
Synonym	pepstatin a
IUPAC Name	(3R,4S)-3-hydroxy-4-[[(2R)-2-[[(3R,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
InChI Key	FAXGPCHRFPCXOO-WQILDUGRSA-N
Molecular Formula	C34H63N5O9

Thermo Scientific Chemicals D-Cellobiose octaacetate

CAS: 5346-90-7 Molecular Formula: C28H38O19 Molecular Weight (g/mol): 678.59 MDL Number: MFCD00009600,MFCD00079432,MFCD00009600,MFCD00078092,MFCD00009600,MFCD00009600 InChI Key: WOTQVEKSRLZRSX-UHFFFAOYNA-N Synonym: d-cellobiose octaacetate PubChem CID: 126963588 IUPAC Name: [(2R,3R,4R,5R,6S)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

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PubChem CID	126963588
CAS	5346-90-7
Molecular Weight (g/mol)	678.59
MDL Number	MFCD00009600,MFCD00079432,MFCD00009600,MFCD00078092,MFCD00009600,MFCD00009600
SMILES	CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
Synonym	d-cellobiose octaacetate
IUPAC Name	[(2R,3R,4R,5R,6S)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
InChI Key	WOTQVEKSRLZRSX-UHFFFAOYNA-N
Molecular Formula	C28H38O19

beta-Nicotinamide adenine dinucleotide, disodium salt, hydrate, 95+%, reduced form, Thermo Scientific Chemicals

CAS: 606-68-8 Molecular Formula: C21H27N7Na2O14P2 Molecular Weight (g/mol): 709.41 MDL Number: MFCD03791273 InChI Key: QRGNQKGQENGQSE-MWLGWILCNA-L Synonym: beta-nadh disodium salt PubChem CID: 131673989 IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;molecular hydrogen;sodium SMILES: [Na+].[Na+].NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O

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PubChem CID	131673989
CAS	606-68-8
Molecular Weight (g/mol)	709.41
MDL Number	MFCD03791273
SMILES	[Na+].[Na+].NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O
Synonym	beta-nadh disodium salt
IUPAC Name	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;molecular hydrogen;sodium
InChI Key	QRGNQKGQENGQSE-MWLGWILCNA-L
Molecular Formula	C21H27N7Na2O14P2

Methyl (+)-4-Boc-piperazine-2-carboxylate, Thermo Scientific Chemicals

CAS: 129799-08-2 Molecular Formula: C11H21N2O4 Molecular Weight (g/mol): 245.30 MDL Number: MFCD01632465,MFCD04115325,MFCD04115326 InChI Key: QUKAHFCVKNRRBU-QMMMGPOBSA-O Synonym: methyl 4-boc-piperazine-2-carboxylate,1-tert-butyl 3-methyl piperazine-1,3-dicarboxylate,n-4-boc-2-piperazinecarboxylic acid methyl ester,1-n-boc-piperazine-3-carboxylic acid methyl ester,4n-boc-piperazine-2-carboxylic acid methyl ester,piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester,1,3-piperazinedicarboxylic acid, 1-1,1-dimethylethyl 3-methyl ester,1-n-boc-piperazine-3-carboxylic acid methyl ester; piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester,tert-butyl 3-methoxycarbonyl piperazinecarboxylate,pubchem18338 PubChem CID: 2756819 IUPAC Name: 1-O-tert-butyl 3-O-methyl piperazine-1,3-dicarboxylate SMILES: COC(=O)[C@@H]1CN(CC[NH2+]1)C(=O)OC(C)(C)C

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PubChem CID	2756819
CAS	129799-08-2
Molecular Weight (g/mol)	245.30
MDL Number	MFCD01632465,MFCD04115325,MFCD04115326
SMILES	COC(=O)[C@@H]1CN(CC[NH2+]1)C(=O)OC(C)(C)C
Synonym	methyl 4-boc-piperazine-2-carboxylate,1-tert-butyl 3-methyl piperazine-1,3-dicarboxylate,n-4-boc-2-piperazinecarboxylic acid methyl ester,1-n-boc-piperazine-3-carboxylic acid methyl ester,4n-boc-piperazine-2-carboxylic acid methyl ester,piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester,1,3-piperazinedicarboxylic acid, 1-1,1-dimethylethyl 3-methyl ester,1-n-boc-piperazine-3-carboxylic acid methyl ester; piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester,tert-butyl 3-methoxycarbonyl piperazinecarboxylate,pubchem18338
IUPAC Name	1-O-tert-butyl 3-O-methyl piperazine-1,3-dicarboxylate
InChI Key	QUKAHFCVKNRRBU-QMMMGPOBSA-O
Molecular Formula	C11H21N2O4

Thermo Scientific Chemicals Folic acid, 97%, pure

CAS: 59-30-3 Molecular Formula: C₁₉H₁₉N₇O₆ Molecular Weight (g/mol): 441.4 MDL Number: MFCD00079305 InChI Key: OVBPIULPVIDEAO-LBPRGKRZSA-N Synonym: folic acid,folate,pteroylglutamic acid,vitamin m,folacin,folacid,pteglu,vitamin b9,folvite,pteroyl-l-glutamic acid PubChem CID: 6037 ChEBI: CHEBI:27470 IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

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PubChem CID	6037
CAS	59-30-3
Molecular Weight (g/mol)	441.4
ChEBI	CHEBI:27470
MDL Number	MFCD00079305
SMILES	C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N
Synonym	folic acid,folate,pteroylglutamic acid,vitamin m,folacin,folacid,pteglu,vitamin b9,folvite,pteroyl-l-glutamic acid
IUPAC Name	(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
InChI Key	OVBPIULPVIDEAO-LBPRGKRZSA-N
Molecular Formula	C₁₉H₁₉N₇O₆

N-Acetyl-L-glutamic Acid 98.0+%, TCI America™

CAS: 1188-37-0 Molecular Formula: C7H11NO5 Molecular Weight (g/mol): 189.167 MDL Number: MFCD00002802 InChI Key: RFMMMVDNIPUKGG-YFKPBYRVSA-N Synonym: n-acetyl-l-glutamic acid,acetylglutamic acid,n-acetyl-l-glutamate,n-acetylglutamic acid,n-acetylglutamate,acetyl glutamic acid,acetyl-l-glutamic acid,l-glutamic acid, n-acetyl,l-n-acetylglutamic acid,ac-glu-oh PubChem CID: 70914 ChEBI: CHEBI:17533 IUPAC Name: (2S)-2-acetamidopentanedioic acid SMILES: CC(=O)NC(CCC(=O)O)C(=O)O

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PubChem CID	70914
CAS	1188-37-0
Molecular Weight (g/mol)	189.167
ChEBI	CHEBI:17533
MDL Number	MFCD00002802
SMILES	CC(=O)NC(CCC(=O)O)C(=O)O
Synonym	n-acetyl-l-glutamic acid,acetylglutamic acid,n-acetyl-l-glutamate,n-acetylglutamic acid,n-acetylglutamate,acetyl glutamic acid,acetyl-l-glutamic acid,l-glutamic acid, n-acetyl,l-n-acetylglutamic acid,ac-glu-oh
IUPAC Name	(2S)-2-acetamidopentanedioic acid
InChI Key	RFMMMVDNIPUKGG-YFKPBYRVSA-N
Molecular Formula	C7H11NO5

Syringaldazine 99+%, Thermo Scientific Chemicals

CAS: 14414-32-5 Molecular Formula: C18H20N2O6 InChI Key: MYNVJNZGTAVRJD-UHFFFAOYSA-N Synonym: 4-2-4-hydroxy-3,5-dimethoxyphenyl methylidene hydrazin-1-ylidene methyl-2,6-dimethoxyphenol,3,5-dimethoxy-4-hydroxybenzalazine,benzaldehyde, 4-hydroxy-3,5-dimethoxy-, 4-hydroxy-3,5-dimethoxyphenyl methylene hydrazone,4,4'-hydrazine-1,2-diylidenebis methanylylidene bis 2,6-dimethoxyphenol,benzaldehyde, 4-hydroxy-3,5-dimethoxy-, 2-4-hydroxy-3,5-dimethoxyphenyl methylene hydrazone,4-hydroxy-3,5-dimethoxybenzaldehyde azine,syringaldazine,4-1e-e-2-4-hydroxy-3,5-dimethoxyphenyl methylidene hydrazin-1-ylidene methyl-2,6-dimethoxyphenol PubChem CID: 5379425

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PubChem CID	5379425
CAS	14414-32-5
Synonym	4-2-4-hydroxy-3,5-dimethoxyphenyl methylidene hydrazin-1-ylidene methyl-2,6-dimethoxyphenol,3,5-dimethoxy-4-hydroxybenzalazine,benzaldehyde, 4-hydroxy-3,5-dimethoxy-, 4-hydroxy-3,5-dimethoxyphenyl methylene hydrazone,4,4'-hydrazine-1,2-diylidenebis methanylylidene bis 2,6-dimethoxyphenol,benzaldehyde, 4-hydroxy-3,5-dimethoxy-, 2-4-hydroxy-3,5-dimethoxyphenyl methylene hydrazone,4-hydroxy-3,5-dimethoxybenzaldehyde azine,syringaldazine,4-1e-e-2-4-hydroxy-3,5-dimethoxyphenyl methylidene hydrazin-1-ylidene methyl-2,6-dimethoxyphenol
InChI Key	MYNVJNZGTAVRJD-UHFFFAOYSA-N
Molecular Formula	C18H20N2O6

Thermo Scientific™ Pierce™ Small Molecule System Suitability Standard

The Thermo Scientific™ Pierce™ Small Molecule System Suitability Standard provides a pre-formulated mixture of nine small-molecule standards to assess system performance in both positive and negative ionization modes for TSQ Triple Quadrupole and Orbitrap Exploris™ mass spectrometers.

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Cobalt(II) benzoate, Thermo Scientific Chemicals

CAS: 932-69-4 Molecular Formula: C14H10CoO4 Molecular Weight (g/mol): 301.16 MDL Number: MFCD00050769 InChI Key: GAYAMOAYBXKUII-UHFFFAOYSA-L Synonym: cobalt 2+ dibenzoate,cobalt ii benzoate,cobalt dibenzoate,cobalt benzoate,benzoic acid, cobalt 2+ salt,benzoic acid, cobalt 2+ salt 2:1,cobaltous benzoate,dibenzoic acid cobalt ii salt PubChem CID: 164760 IUPAC Name: cobalt(2+);dibenzoate SMILES: [Co++].[O-]C(=O)C1=CC=CC=C1.[O-]C(=O)C1=CC=CC=C1

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Specifications

PubChem CID	164760
CAS	932-69-4
Molecular Weight (g/mol)	301.16
MDL Number	MFCD00050769
SMILES	[Co++].[O-]C(=O)C1=CC=CC=C1.[O-]C(=O)C1=CC=CC=C1
Synonym	cobalt 2+ dibenzoate,cobalt ii benzoate,cobalt dibenzoate,cobalt benzoate,benzoic acid, cobalt 2+ salt,benzoic acid, cobalt 2+ salt 2:1,cobaltous benzoate,dibenzoic acid cobalt ii salt
IUPAC Name	cobalt(2+);dibenzoate
InChI Key	GAYAMOAYBXKUII-UHFFFAOYSA-L
Molecular Formula	C14H10CoO4

MilliporeSigma™ UDP-alpha-D-Galactose, Disodium Salt, >95% Calbiochem™,

CAS: 137868-52-1 Molecular Formula: C15H22N2Na2O17P2 Molecular Weight (g/mol): 610.27 MDL Number: MFCD00077895 InChI Key: PKJQEQVCYGYYMM-UHFFFAOYNA-L Synonym: udp-a-d-galactose disodium salt PubChem CID: 126969254 IUPAC Name: disodium [5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphonato]oxy}phosphonate SMILES: [Na+].[Na+].OCC1OC(OP([O-])(=O)OP([O-])(=O)OCC2OC(C(O)C2O)N2C=CC(=O)NC2=O)C(O)C(O)C1O

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Specifications

PubChem CID	126969254
CAS	137868-52-1
Molecular Weight (g/mol)	610.27
MDL Number	MFCD00077895
SMILES	[Na+].[Na+].OCC1OC(OP([O-])(=O)OP([O-])(=O)OCC2OC(C(O)C2O)N2C=CC(=O)NC2=O)C(O)C(O)C1O
Synonym	udp-a-d-galactose disodium salt
IUPAC Name	disodium [5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphonato]oxy}phosphonate
InChI Key	PKJQEQVCYGYYMM-UHFFFAOYNA-L
Molecular Formula	C15H22N2Na2O17P2

Abacavir 98.0+%, TCI America™

CAS: 136470-78-5 Molecular Formula: C14H18N6O Molecular Weight (g/mol): 286.339 MDL Number: MFCD00903850 InChI Key: MCGSCOLBFJQGHM-SCZZXKLOSA-N Synonym: (1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol PubChem CID: 441300 ChEBI: CHEBI:421707 IUPAC Name: [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol SMILES: C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N

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Specifications

PubChem CID	441300
CAS	136470-78-5
Molecular Weight (g/mol)	286.339
ChEBI	CHEBI:421707
MDL Number	MFCD00903850
SMILES	C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N
Synonym	(1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol
IUPAC Name	[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
InChI Key	MCGSCOLBFJQGHM-SCZZXKLOSA-N
Molecular Formula	C14H18N6O

3-Acetamidotetrahydro-2-thiophenone 98.0+%, TCI America™

CAS: 1195-16-0 Molecular Formula: C6H9NO2S Molecular Weight (g/mol): 159.20 MDL Number: MFCD00005480 InChI Key: NRFJZTXWLKPZAV-UHFFFAOYNA-N Synonym: citiolone,citiolase,thioxidrene,ahctl,achtl,ahct,dl-n-acetylhomocysteine thiolactone,n-acetylhomocysteine thiolactone,acetamide, n-tetrahydro-2-oxo-3-thienyl,3-acetamidotetrahydro-2-thiophenone PubChem CID: 14520 IUPAC Name: N-(2-oxothiolan-3-yl)acetamide SMILES: CC(=O)NC1CCSC1=O

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Specifications

PubChem CID	14520
CAS	1195-16-0
Molecular Weight (g/mol)	159.20
MDL Number	MFCD00005480
SMILES	CC(=O)NC1CCSC1=O
Synonym	citiolone,citiolase,thioxidrene,ahctl,achtl,ahct,dl-n-acetylhomocysteine thiolactone,n-acetylhomocysteine thiolactone,acetamide, n-tetrahydro-2-oxo-3-thienyl,3-acetamidotetrahydro-2-thiophenone
IUPAC Name	N-(2-oxothiolan-3-yl)acetamide
InChI Key	NRFJZTXWLKPZAV-UHFFFAOYNA-N
Molecular Formula	C6H9NO2S

Undecane 99.0+%, TCI America™

CAS: 1120-21-4 Molecular Formula: C11H24 Molecular Weight (g/mol): 156.31 MDL Number: MFCD00008959 InChI Key: RSJKGSCJYJTIGS-UHFFFAOYSA-N Synonym: n-undecane,hendecane,n-hendecane,decane, methyl,unii-jv0qt00nue,ccris 3796,jv0qt00nue,undecane,undecane, analytical standard,und PubChem CID: 14257 ChEBI: CHEBI:46342 IUPAC Name: undecane SMILES: CCCCCCCCCCC

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Specifications

PubChem CID	14257
CAS	1120-21-4
Molecular Weight (g/mol)	156.31
ChEBI	CHEBI:46342
MDL Number	MFCD00008959
SMILES	CCCCCCCCCCC
Synonym	n-undecane,hendecane,n-hendecane,decane, methyl,unii-jv0qt00nue,ccris 3796,jv0qt00nue,undecane,undecane, analytical standard,und
IUPAC Name	undecane
InChI Key	RSJKGSCJYJTIGS-UHFFFAOYSA-N
Molecular Formula	C11H24

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