Unclassified Organic Compounds

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

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2,446 – 2,460 of 162,978 results

2,446

tert-Butyl 3-oxocyclobutanecarboxylate, 97%

CAS: 145549-76-4 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.208 MDL Number: MFCD12827541 InChI Key: JINYZTGTQXDUQR-UHFFFAOYSA-N Synonym: tert-butyl 3-oxocyclobutanecarboxylate,3-oxo-cyclobutanecarboxylic acid tert-butyl ester,cyclobutanecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester,tert-butyl 3-oxo-cyclobutanecarboxylate,1-boc-cyclobutan-3-one,t-butyl 3-oxocyclobutanecarboxylate,3-tert-butyloxycarbonylcyclobutanone,tert-butyl3-oxocyclobutanecarboxylate,tert-butyl 3-oxocyclobutane carboxylate,t-butyl-3-oxocyclobutanecarboxylate PubChem CID: 10261520 IUPAC Name: tert-butyl 3-oxocyclobutane-1-carboxylate SMILES: CC(C)(C)OC(=O)C1CC(=O)C1

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Specifications

PubChem CID	10261520
CAS	145549-76-4
Molecular Weight (g/mol)	170.208
MDL Number	MFCD12827541
SMILES	CC(C)(C)OC(=O)C1CC(=O)C1
Synonym	tert-butyl 3-oxocyclobutanecarboxylate,3-oxo-cyclobutanecarboxylic acid tert-butyl ester,cyclobutanecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester,tert-butyl 3-oxo-cyclobutanecarboxylate,1-boc-cyclobutan-3-one,t-butyl 3-oxocyclobutanecarboxylate,3-tert-butyloxycarbonylcyclobutanone,tert-butyl3-oxocyclobutanecarboxylate,tert-butyl 3-oxocyclobutane carboxylate,t-butyl-3-oxocyclobutanecarboxylate
IUPAC Name	tert-butyl 3-oxocyclobutane-1-carboxylate
InChI Key	JINYZTGTQXDUQR-UHFFFAOYSA-N
Molecular Formula	C9H14O3

2,447

Sucrose, MilliporeSigma™

CAS: 57-50-1 Molecular Formula: C12H22O11 Molecular Weight (g/mol): 342.30 MDL Number: MFCD00006626 InChI Key: CZMRCDWAGMRECN-PWPRYFECNA-N IUPAC Name: (2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol SMILES: OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

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Specifications

CAS	57-50-1
Molecular Weight (g/mol)	342.30
MDL Number	MFCD00006626
SMILES	OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
IUPAC Name	(2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI Key	CZMRCDWAGMRECN-PWPRYFECNA-N
Molecular Formula	C12H22O11

2,448

Balsalazide disodium dihydrate, Thermo Scientific Chemicals

CAS: 150399-21-6 Molecular Formula: C17H17N3Na2O8 Molecular Weight (g/mol): 437.32 InChI Key: HYSVUPBQPCRAJM-PIFVRXTCSA-L IUPAC Name: disodium (3Z)-3-(2-{4-[(2-carboxylatoethyl)carbamoyl]phenyl}hydrazin-1-ylidene)-6-oxocyclohexa-1,4-diene-1-carboxylate dihydrate SMILES: O.O.[Na+].[Na+].[O-]C(=O)CCNC(=O)C1=CC=C(N\N=C2\C=CC(=O)C(=C2)C([O-])=O)C=C1

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Specifications

CAS	150399-21-6
Molecular Weight (g/mol)	437.32
SMILES	O.O.[Na+].[Na+].[O-]C(=O)CCNC(=O)C1=CC=C(N\N=C2\C=CC(=O)C(=C2)C([O-])=O)C=C1
IUPAC Name	disodium (3Z)-3-(2-{4-[(2-carboxylatoethyl)carbamoyl]phenyl}hydrazin-1-ylidene)-6-oxocyclohexa-1,4-diene-1-carboxylate dihydrate
InChI Key	HYSVUPBQPCRAJM-PIFVRXTCSA-L
Molecular Formula	C17H17N3Na2O8

2,449

Quinine Monohydrochloride Dihydrate, 100.8%, MP Biomedicals™

CAS: 6119-47-7 Molecular Formula: C20H29ClN2O4 Molecular Weight (g/mol): 396.91 MDL Number: MFCD00151248 InChI Key: MPQKYZPYCSTMEI-VQYSEXPNNA-N Synonym: quinine hydrochloride dihydrate,quinine monohydrochloride dihydrate,cinchonan-9-ol, 6'-methoxy-, monohydrochloride, dihydrate, 8a,9r,quinine hcl dihydrate,r-2s,4s,5r-5-ethenyl-1-azabicyclo 2.2.2 octan-2-yl-6-methoxyquinolin-4-yl methanol;dihydrate;hydrochloride,chinini hydrochloridum,quinine, hcl dihydrate,quinine hydrochloride jan:nf,quinine monohydrochloride hydrate PubChem CID: 134690644 IUPAC Name: (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol dihydrate hydrochloride SMILES: O.O.Cl.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C

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Specifications

PubChem CID	134690644
CAS	6119-47-7
Molecular Weight (g/mol)	396.91
MDL Number	MFCD00151248
SMILES	O.O.Cl.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C
Synonym	quinine hydrochloride dihydrate,quinine monohydrochloride dihydrate,cinchonan-9-ol, 6'-methoxy-, monohydrochloride, dihydrate, 8a,9r,quinine hcl dihydrate,r-2s,4s,5r-5-ethenyl-1-azabicyclo 2.2.2 octan-2-yl-6-methoxyquinolin-4-yl methanol;dihydrate;hydrochloride,chinini hydrochloridum,quinine, hcl dihydrate,quinine hydrochloride jan:nf,quinine monohydrochloride hydrate
IUPAC Name	(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol dihydrate hydrochloride
InChI Key	MPQKYZPYCSTMEI-VQYSEXPNNA-N
Molecular Formula	C20H29ClN2O4

2,450

Quinine monohydrochloride dihydrate, 99%

CAS: 6119-47-7 Molecular Formula: C20H29ClN2O4 Molecular Weight (g/mol): 396.91 MDL Number: MFCD00151248 InChI Key: MPQKYZPYCSTMEI-VQYSEXPNNA-N Synonym: quinine hcl dihydrate PubChem CID: 124080947 IUPAC Name: (R)-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride SMILES: O.O.Cl.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C

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Specifications

PubChem CID	124080947
CAS	6119-47-7
Molecular Weight (g/mol)	396.91
MDL Number	MFCD00151248
SMILES	O.O.Cl.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C
Synonym	quinine hcl dihydrate
IUPAC Name	(R)-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride
InChI Key	MPQKYZPYCSTMEI-VQYSEXPNNA-N
Molecular Formula	C20H29ClN2O4

2,451

3,4,5-Trimethoxybenzoic acid, 99+%

CAS: 118-41-2 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.2 MDL Number: MFCD00002501 InChI Key: SJSOFNCYXJUNBT-UHFFFAOYSA-N Synonym: eudesmic acid,gallic acid trimethyl ether,tri-o-methylgallic acid,trimethylgallic acid,benzoic acid, 3,4,5-trimethoxy,veratric acid, 5-methoxy,unii-v5c9h0sc9f,3,4,5-trimethoxy-benzoic acid,5-methoxy-veratric acid,v5c9h0sc9f PubChem CID: 8357 ChEBI: CHEBI:454991 IUPAC Name: 3,4,5-trimethoxybenzoic acid SMILES: COC1=CC(=CC(OC)=C1OC)C(O)=O

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Specifications

PubChem CID	8357
CAS	118-41-2
Molecular Weight (g/mol)	212.2
ChEBI	CHEBI:454991
MDL Number	MFCD00002501
SMILES	COC1=CC(=CC(OC)=C1OC)C(O)=O
Synonym	eudesmic acid,gallic acid trimethyl ether,tri-o-methylgallic acid,trimethylgallic acid,benzoic acid, 3,4,5-trimethoxy,veratric acid, 5-methoxy,unii-v5c9h0sc9f,3,4,5-trimethoxy-benzoic acid,5-methoxy-veratric acid,v5c9h0sc9f
IUPAC Name	3,4,5-trimethoxybenzoic acid
InChI Key	SJSOFNCYXJUNBT-UHFFFAOYSA-N
Molecular Formula	C10H12O5

2,452

Nicotinamide Impurity E, Certified Reference Material, MilliporeSigma™ Supelco™

Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards

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2,453

Brefeldin A, 98%

CAS: 20350-15-6 Molecular Formula: C16H24O4 Molecular Weight (g/mol): 280.36 MDL Number: MFCD00083258,MFCD12913297 InChI Key: KQNZDYYTLMIZCT-PNFJWZTBSA-N Synonym: brefeldin a,cyanein,decumbin,bfa PubChem CID: 133640201 SMILES: C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H](O)\C=C\C(=O)O1

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Specifications

PubChem CID	133640201
CAS	20350-15-6
Molecular Weight (g/mol)	280.36
MDL Number	MFCD00083258,MFCD12913297
SMILES	C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H](O)\C=C\C(=O)O1
Synonym	brefeldin a,cyanein,decumbin,bfa
InChI Key	KQNZDYYTLMIZCT-PNFJWZTBSA-N
Molecular Formula	C16H24O4

2,454

Thermo Scientific Chemicals Daptomycin

CAS: 103060-53-3 Molecular Formula: C₇₂H₁₀₁N₁₇O₂₆ Molecular Weight (g/mol): 1620.67 InChI Key: DOAKLVKFURWEDJ-AVSAZHKKSA-N Synonym: daptomycin PubChem CID: 133640189 SMILES: CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC3C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)C(C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C

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Specifications

PubChem CID	133640189
CAS	103060-53-3
Molecular Weight (g/mol)	1620.67
SMILES	CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC3C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)C(C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C
Synonym	daptomycin
InChI Key	DOAKLVKFURWEDJ-AVSAZHKKSA-N
Molecular Formula	C₇₂H₁₀₁N₁₇O₂₆

2,455

Tetrapentacontane, Standard for GC Analysis, MilliporeSigma™ Supelco™

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2,456

TraceCERT™ Organophosphorous Pesticide Mix A, Certified Reference Material, MilliporeSigma™ Supelco™

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.

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2,457

Thermo Scientific™ Etidocaine hydrochloride, 95%

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2,458

(+/-)-alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid

CAS: 74341-63-2 Molecular Formula: C7H10N2O4 Molecular Weight (g/mol): 186.167 MDL Number: MFCD00213388 InChI Key: UUDAMDVQRQNNHZ-UHFFFAOYSA-N Synonym: ampa,r,s-ampa,ampa pharmaceutical,alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid,rs-ampa,+/--ampa,chembl13378,d,l-alpha-amino-3-hydroxy-5-methylisoxazole-4-propionic acid,r,s-alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid,4-isoxazolepropanoic acid, alpha-amino-2,3-dihydro-5-methyl-3-oxo PubChem CID: 1221 ChEBI: CHEBI:34018 IUPAC Name: 2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid SMILES: CC1=C(C(=O)NO1)CC(C(=O)O)N

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Specifications

PubChem CID	1221
CAS	74341-63-2
Molecular Weight (g/mol)	186.167
ChEBI	CHEBI:34018
MDL Number	MFCD00213388
SMILES	CC1=C(C(=O)NO1)CC(C(=O)O)N
Synonym	ampa,r,s-ampa,ampa pharmaceutical,alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid,rs-ampa,+/--ampa,chembl13378,d,l-alpha-amino-3-hydroxy-5-methylisoxazole-4-propionic acid,r,s-alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid,4-isoxazolepropanoic acid, alpha-amino-2,3-dihydro-5-methyl-3-oxo
IUPAC Name	2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
InChI Key	UUDAMDVQRQNNHZ-UHFFFAOYSA-N
Molecular Formula	C7H10N2O4

2,459

N-Benzyloxycarbonyl-L-serine, 99%

CAS: 1145-80-8 Molecular Formula: C11H13NO5 Molecular Weight (g/mol): 239.23 MDL Number: MFCD00002662 InChI Key: GNIDSOFZAKMQAO-UHFFFAOYNA-N Synonym: z-ser-oh,n-cbz-l-serine,benzyloxycarbonylserine,z-l-serine,carbobenzyloxy-l-serine,n-carbobenzyloxy-l-serine,cbz-l-ser-oh,n-carbobenzoxy-l-serine,n-benzyloxycarbonyl-l-serine,cbz-l-serine PubChem CID: 100310 IUPAC Name: (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid SMILES: OCC(NC(=O)OCC1=CC=CC=C1)C(O)=O

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Specifications

PubChem CID	100310
CAS	1145-80-8
Molecular Weight (g/mol)	239.23
MDL Number	MFCD00002662
SMILES	OCC(NC(=O)OCC1=CC=CC=C1)C(O)=O
Synonym	z-ser-oh,n-cbz-l-serine,benzyloxycarbonylserine,z-l-serine,carbobenzyloxy-l-serine,n-carbobenzyloxy-l-serine,cbz-l-ser-oh,n-carbobenzoxy-l-serine,n-benzyloxycarbonyl-l-serine,cbz-l-serine
IUPAC Name	(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid
InChI Key	GNIDSOFZAKMQAO-UHFFFAOYNA-N
Molecular Formula	C11H13NO5

2,460

Coconut Oil, Refined, Spectrum™ Chemical

CAS: 8001-31-8

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Specifications

CAS	8001-31-8

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