Vinylogous acids

Organic compounds that contain one or more hydroxyl groups indirectly attached to a carbonyl group via an intervening vinyl functional group (-C=C-; also known as carbon - carbon double bond).

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CAS: 60-80-0 Molecular Formula: C₁₁H₁₂N₂O Molecular Weight (g/mol): 188.23 MDL Number: MFCD00003146 InChI Key: VEQOALNAAJBPNY-UHFFFAOYSA-N Synonym: antipyrine,phenazone,antipyrin,phenazon,analgesine,anodynine,anodynin,azophen,fenazone,2,3-dimethyl-1-phenyl-5-pyrazolone PubChem CID: 2206 ChEBI: CHEBI:31225 IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one SMILES: CC1=CC(=O)N(N1C)C2=CC=CC=C2

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PubChem CID	2206
CAS	60-80-0
Molecular Weight (g/mol)	188.23
ChEBI	CHEBI:31225
MDL Number	MFCD00003146
SMILES	CC1=CC(=O)N(N1C)C2=CC=CC=C2
Synonym	antipyrine,phenazone,antipyrin,phenazon,analgesine,anodynine,anodynin,azophen,fenazone,2,3-dimethyl-1-phenyl-5-pyrazolone
IUPAC Name	1,5-dimethyl-2-phenylpyrazol-3-one
InChI Key	VEQOALNAAJBPNY-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₂N₂O

2-(Ethylthio)nicotinamide, 97%, Thermo Scientific™

CAS: 175135-27-0 Molecular Formula: C8H10N2OS Molecular Weight (g/mol): 182.241 MDL Number: MFCD00052903 InChI Key: YSSWIQWINOZESS-UHFFFAOYSA-N Synonym: 2-ethylthio nicotinamide,3-pyridinecarboxamide,2-ethylthio,2-ethylsulfanyl pyridine-3-carboxamide,maybridge1_001319,2-ethylthiopyridine-3-carboxamide PubChem CID: 2774536 IUPAC Name: 2-ethylsulfanylpyridine-3-carboxamide SMILES: CCSC1=C(C=CC=N1)C(=O)N

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PubChem CID	2774536
CAS	175135-27-0
Molecular Weight (g/mol)	182.241
MDL Number	MFCD00052903
SMILES	CCSC1=C(C=CC=N1)C(=O)N
Synonym	2-ethylthio nicotinamide,3-pyridinecarboxamide,2-ethylthio,2-ethylsulfanyl pyridine-3-carboxamide,maybridge1_001319,2-ethylthiopyridine-3-carboxamide
IUPAC Name	2-ethylsulfanylpyridine-3-carboxamide
InChI Key	YSSWIQWINOZESS-UHFFFAOYSA-N
Molecular Formula	C8H10N2OS

Hypoxanthine, 99%

CAS: 68-94-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00005725 InChI Key: FDGQSTZJBFJUBT-UHFFFAOYSA-N Synonym: hypoxanthine,6-hydroxypurine,9h-purin-6-ol,sarkin,6-oxopurine,sarcine,sarkine,3h-purin-6-ol,7h-purin-6-ol,purin-6 1h-one PubChem CID: 790 ChEBI: CHEBI:17368 IUPAC Name: 3,7-dihydropurin-6-one SMILES: O=C1N=CNC2=C1NC=N2

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PubChem CID	790
CAS	68-94-0
Molecular Weight (g/mol)	136.11
ChEBI	CHEBI:17368
MDL Number	MFCD00005725
SMILES	O=C1N=CNC2=C1NC=N2
Synonym	hypoxanthine,6-hydroxypurine,9h-purin-6-ol,sarkin,6-oxopurine,sarcine,sarkine,3h-purin-6-ol,7h-purin-6-ol,purin-6 1h-one
IUPAC Name	3,7-dihydropurin-6-one
InChI Key	FDGQSTZJBFJUBT-UHFFFAOYSA-N
Molecular Formula	C5H4N4O

Khellin, MP Biomedicals

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Thermo Scientific Chemicals Khellin, 95%

CAS: 82-02-0 Molecular Formula: C14H12O5 Molecular Weight (g/mol): 260.25 InChI Key: HSMPDPBYAYSOBC-UHFFFAOYSA-N IUPAC Name: 4,9-dimethoxy-7-methyl-5H-furo[3,2-g]chromen-5-one SMILES: COC1=C2OC=CC2=C(OC)C2=C1OC(C)=CC2=O

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CAS	82-02-0
Molecular Weight (g/mol)	260.25
SMILES	COC1=C2OC=CC2=C(OC)C2=C1OC(C)=CC2=O
IUPAC Name	4,9-dimethoxy-7-methyl-5H-furo[3,2-g]chromen-5-one
InChI Key	HSMPDPBYAYSOBC-UHFFFAOYSA-N
Molecular Formula	C14H12O5

Hypoxanthine Disodium Salt, MP Biomedicals

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PubChem CID	790
CAS	68-94-0
Molecular Weight (g/mol)	136.11
ChEBI	CHEBI:17368
MDL Number	MFCD00005725
SMILES	O=C1N=CNC2=C1NC=N2
Synonym	hypoxanthine,6-hydroxypurine,9h-purin-6-ol,sarkin,6-oxopurine,sarcine,sarkine,3h-purin-6-ol,7h-purin-6-ol,purin-6 1h-one
IUPAC Name	6,7-dihydro-3H-purin-6-one
InChI Key	FDGQSTZJBFJUBT-UHFFFAOYSA-N
Molecular Formula	C5H4N4O

Isatoic anhydride, 97%

CAS: 118-48-9 Molecular Formula: C8H5NO3 Molecular Weight (g/mol): 163.13 MDL Number: MFCD00006700 InChI Key: TXJUTRJFNRYTHH-UHFFFAOYSA-N Synonym: isatoic anhydride,2h-3,1-benzoxazine-2,4 1h-dione,1h-benzo d 1,3 oxazine-2,4-dione,isatoic acid anhydride,4h-3,1-benzoxazine-2,4 1h-dione,isato acid anhydride,n-carboxyanthranilic anhydride,unii-r8tfa74y4u,3,1-benzoxazine-2,4 1h-dione,anthranilic acid, n-carboxy-, cyclic anhydride PubChem CID: 8359 SMILES: O=C1NC2=CC=CC=C2C(=O)O1

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PubChem CID	8359
CAS	118-48-9
Molecular Weight (g/mol)	163.13
MDL Number	MFCD00006700
SMILES	O=C1NC2=CC=CC=C2C(=O)O1
Synonym	isatoic anhydride,2h-3,1-benzoxazine-2,4 1h-dione,1h-benzo d 1,3 oxazine-2,4-dione,isatoic acid anhydride,4h-3,1-benzoxazine-2,4 1h-dione,isato acid anhydride,n-carboxyanthranilic anhydride,unii-r8tfa74y4u,3,1-benzoxazine-2,4 1h-dione,anthranilic acid, n-carboxy-, cyclic anhydride
InChI Key	TXJUTRJFNRYTHH-UHFFFAOYSA-N
Molecular Formula	C8H5NO3

Antipyrine, 98%

CAS: 60-80-0 Molecular Formula: C11H12N2O Molecular Weight (g/mol): 188.23 MDL Number: MFCD00003146 InChI Key: VEQOALNAAJBPNY-UHFFFAOYSA-N Synonym: antipyrine,phenazone,antipyrin,phenazon,analgesine,anodynine,anodynin,azophen,fenazone,2,3-dimethyl-1-phenyl-5-pyrazolone PubChem CID: 2206 ChEBI: CHEBI:31225 IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one SMILES: CC1=CC(=O)N(N1C)C2=CC=CC=C2

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PubChem CID	2206
CAS	60-80-0
Molecular Weight (g/mol)	188.23
ChEBI	CHEBI:31225
MDL Number	MFCD00003146
SMILES	CC1=CC(=O)N(N1C)C2=CC=CC=C2
Synonym	antipyrine,phenazone,antipyrin,phenazon,analgesine,anodynine,anodynin,azophen,fenazone,2,3-dimethyl-1-phenyl-5-pyrazolone
IUPAC Name	1,5-dimethyl-2-phenylpyrazol-3-one
InChI Key	VEQOALNAAJBPNY-UHFFFAOYSA-N
Molecular Formula	C11H12N2O

Ethyl 2-amino-4-methylthiophene-3-carboxylate, 98+%

CAS: 43088-42-2 Molecular Formula: C8H11NO2S Molecular Weight (g/mol): 185.241 MDL Number: MFCD00051669 InChI Key: ILYCZKOBLRJJSW-UHFFFAOYSA-N Synonym: 2-amino-4-methylthiophene-3-carboxylic acid ethyl ester,2-amino-4-methyl-thiophene-3-carboxylic acid ethyl ester,3-thiophenecarboxylic acid, 2-amino-4-methyl-, ethyl ester,ethyl2-amino-4-methylthiophene-3-carboxylate,ethyl 2-amino-4-methyl-3-thiophenecarboxylate,acmc-20a9ux,maybridge1_003755,2-amino-4-methyl-3-ethoxycarbonyl-thiophene,ethyl 2-amino4-methylthiophene-3-carboxylate,2-amino-3-ethoxycarbonyl-4-methylthiophene PubChem CID: 521132 IUPAC Name: ethyl 2-amino-4-methylthiophene-3-carboxylate SMILES: CCOC(=O)C1=C(SC=C1C)N

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PubChem CID	521132
CAS	43088-42-2
Molecular Weight (g/mol)	185.241
MDL Number	MFCD00051669
SMILES	CCOC(=O)C1=C(SC=C1C)N
Synonym	2-amino-4-methylthiophene-3-carboxylic acid ethyl ester,2-amino-4-methyl-thiophene-3-carboxylic acid ethyl ester,3-thiophenecarboxylic acid, 2-amino-4-methyl-, ethyl ester,ethyl2-amino-4-methylthiophene-3-carboxylate,ethyl 2-amino-4-methyl-3-thiophenecarboxylate,acmc-20a9ux,maybridge1_003755,2-amino-4-methyl-3-ethoxycarbonyl-thiophene,ethyl 2-amino4-methylthiophene-3-carboxylate,2-amino-3-ethoxycarbonyl-4-methylthiophene
IUPAC Name	ethyl 2-amino-4-methylthiophene-3-carboxylate
InChI Key	ILYCZKOBLRJJSW-UHFFFAOYSA-N
Molecular Formula	C8H11NO2S

PubChem CID	8359
CAS	118-48-9
Molecular Weight (g/mol)	163.13
MDL Number	MFCD00006700
SMILES	O=C1NC2=CC=CC=C2C(=O)O1
Synonym	isatoic anhydride,2h-3,1-benzoxazine-2,4 1h-dione,1h-benzo d 1,3 oxazine-2,4-dione,isatoic acid anhydride,4h-3,1-benzoxazine-2,4 1h-dione,isato acid anhydride,n-carboxyanthranilic anhydride,unii-r8tfa74y4u,3,1-benzoxazine-2,4 1h-dione,anthranilic acid, n-carboxy-, cyclic anhydride
InChI Key	TXJUTRJFNRYTHH-UHFFFAOYSA-N
Molecular Formula	C8H5NO3

1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 105994-75-0 Molecular Formula: C11H10N2O2 Molecular Weight (g/mol): 202.213 MDL Number: MFCD04038957 InChI Key: MXGOKNNGBUOAGF-UHFFFAOYSA-N Synonym: 1-methyl-5-phenyl-1h-pyrazole-4-carboxylic acid,1h-pyrazole-4-carboxylicacid, 1-methyl-5-phenyl,acmc-1c8ot,1h-pyrazole-4-carboxylic acid, 1-methyl-5-phenyl,1ff PubChem CID: 2795474 IUPAC Name: 1-methyl-5-phenylpyrazole-4-carboxylic acid SMILES: CN1C(=C(C=N1)C(=O)O)C2=CC=CC=C2

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PubChem CID	2795474
CAS	105994-75-0
Molecular Weight (g/mol)	202.213
MDL Number	MFCD04038957
SMILES	CN1C(=C(C=N1)C(=O)O)C2=CC=CC=C2
Synonym	1-methyl-5-phenyl-1h-pyrazole-4-carboxylic acid,1h-pyrazole-4-carboxylicacid, 1-methyl-5-phenyl,acmc-1c8ot,1h-pyrazole-4-carboxylic acid, 1-methyl-5-phenyl,1ff
IUPAC Name	1-methyl-5-phenylpyrazole-4-carboxylic acid
InChI Key	MXGOKNNGBUOAGF-UHFFFAOYSA-N
Molecular Formula	C11H10N2O2

5-Hydroxy-4H-chromen-4-one, 95%, Thermo Scientific™

CAS: 3952-69-0 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.144 MDL Number: MFCD00100605 InChI Key: CJMXMDVAKVSKFI-UHFFFAOYSA-N Synonym: 5-hydroxy-4h-chromen-4-one,5-hydroxychromone,5-hydroxy-4h-1-benzopyran-4-one,5-hydroxy-chromen-4-one,4h-1-benzopyran-4-one,5-hydroxy PubChem CID: 5479462 IUPAC Name: 5-hydroxychromen-4-one SMILES: C1=CC2=C(C(=O)C=CO2)C(=C1)O

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PubChem CID	5479462
CAS	3952-69-0
Molecular Weight (g/mol)	162.144
MDL Number	MFCD00100605
SMILES	C1=CC2=C(C(=O)C=CO2)C(=C1)O
Synonym	5-hydroxy-4h-chromen-4-one,5-hydroxychromone,5-hydroxy-4h-1-benzopyran-4-one,5-hydroxy-chromen-4-one,4h-1-benzopyran-4-one,5-hydroxy
IUPAC Name	5-hydroxychromen-4-one
InChI Key	CJMXMDVAKVSKFI-UHFFFAOYSA-N
Molecular Formula	C9H6O3

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Hypoxanthine, 99.5%

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PubChem CID	790
CAS	68-94-0
Molecular Weight (g/mol)	136.11
ChEBI	CHEBI:17368
MDL Number	MFCD00005725
SMILES	O=C1N=CNC2=C1NC=N2
Synonym	hypoxanthine,6-hydroxypurine,9h-purin-6-ol,sarkin,6-oxopurine,sarcine,sarkine,3h-purin-6-ol,7h-purin-6-ol,purin-6 1h-one
InChI Key	FDGQSTZJBFJUBT-UHFFFAOYSA-N
Molecular Formula	C5H4N4O

5-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 91138-00-0 Molecular Formula: C11H10N2O2 Molecular Weight (g/mol): 202.213 InChI Key: USSMIQWDLWJQDQ-UHFFFAOYSA-N Synonym: 5-methyl-1-phenyl-1h-pyrazole-4-carboxylic acid,3-methyl-2-phenylpyrazole-4-carboxylic acid,3-methyl-2-phenyl-4-pyrazolecarboxylic acid,akos pao-0331,acmc-20am2c,rarechem al be 1317,maybridge1_002413,buttpark 33\08-16,cbi-bb zero/006129,5-methyl-1-phenyl-1h-pyrazole-4-carboxylicacid PubChem CID: 145221 IUPAC Name: 5-methyl-1-phenylpyrazole-4-carboxylic acid SMILES: CC1=C(C=NN1C2=CC=CC=C2)C(=O)O

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PubChem CID	145221
CAS	91138-00-0
Molecular Weight (g/mol)	202.213
SMILES	CC1=C(C=NN1C2=CC=CC=C2)C(=O)O
Synonym	5-methyl-1-phenyl-1h-pyrazole-4-carboxylic acid,3-methyl-2-phenylpyrazole-4-carboxylic acid,3-methyl-2-phenyl-4-pyrazolecarboxylic acid,akos pao-0331,acmc-20am2c,rarechem al be 1317,maybridge1_002413,buttpark 33\08-16,cbi-bb zero/006129,5-methyl-1-phenyl-1h-pyrazole-4-carboxylicacid
IUPAC Name	5-methyl-1-phenylpyrazole-4-carboxylic acid
InChI Key	USSMIQWDLWJQDQ-UHFFFAOYSA-N
Molecular Formula	C11H10N2O2

4-Hydroxy-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine, 98+%, Alfa Aesar™

CAS: 21314-17-0 Molecular Formula: C11H8N4O Molecular Weight (g/mol): 212.21 MDL Number: MFCD00082637 InChI Key: SVKPVSOBZKPDIY-UHFFFAOYSA-N Synonym: 1-phenyl-1h-pyrazolo 3,4-d pyrimidin-4-ol,4-hydroxy-1-phenylpyrazolo 3,4-d pyrimidine,1-phenyl-1,5-dihydro-4h-pyrazolo 3,4-d pyrimidin-4-one,4h-pyrazolo 3,4-d pyrimidin-4-one, 1,5-dihydro-1-phenyl,1-phenyl-2h-pyrazolo 3,4-d pyrimidin-4-one,gdzqghgckkwnac-uhfffaoysa-n,1-phenylpyrazolo 3,4-d pyrimidin-4-ol,1-phenyl-5h-pyrazolo 3,4-d pyrimidin-4-one,1-phenyl-1h-pyrazolo 3,4-d pyrimidin-4 5h-one,1-phenyl-5-hydropyrazolo 5,4-d pyrimidin-4-one PubChem CID: 88867 IUPAC Name: 1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2N(NC=C12)C1=CC=CC=C1

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PubChem CID	88867
CAS	21314-17-0
Molecular Weight (g/mol)	212.21
MDL Number	MFCD00082637
SMILES	O=C1N=CN=C2N(NC=C12)C1=CC=CC=C1
Synonym	1-phenyl-1h-pyrazolo 3,4-d pyrimidin-4-ol,4-hydroxy-1-phenylpyrazolo 3,4-d pyrimidine,1-phenyl-1,5-dihydro-4h-pyrazolo 3,4-d pyrimidin-4-one,4h-pyrazolo 3,4-d pyrimidin-4-one, 1,5-dihydro-1-phenyl,1-phenyl-2h-pyrazolo 3,4-d pyrimidin-4-one,gdzqghgckkwnac-uhfffaoysa-n,1-phenylpyrazolo 3,4-d pyrimidin-4-ol,1-phenyl-5h-pyrazolo 3,4-d pyrimidin-4-one,1-phenyl-1h-pyrazolo 3,4-d pyrimidin-4 5h-one,1-phenyl-5-hydropyrazolo 5,4-d pyrimidin-4-one
IUPAC Name	1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
InChI Key	SVKPVSOBZKPDIY-UHFFFAOYSA-N
Molecular Formula	C11H8N4O

Vinylogous acids

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