Organoheterocyclic compounds
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Benzyl 2-(hydroxymethyl)-1-indolinecarboxylate, ≥95%, Thermo Scientific™
CAS: 135829-04-8 Molecular Formula: C17H17NO3 Molecular Weight (g/mol): 283.327 MDL Number: MFCD02682013 InChI Key: QSMOQTIGILELKY-UHFFFAOYSA-N Synonym: benzyl 2-hydroxymethyl-1-indolinecarboxylate,benzyl 2-hydroxymethyl indoline-1-carboxylate,benzyl 2-hydroxymethyl-2,3-dihydroindole-1-carboxylate,1h-indole-1-carboxylicacid, 2,3-dihydro-2-hydroxymethyl-, phenylmethyl ester,acmc-20c3wg,1-benzyloxycarbonylindoline-2-methanol,+/-1-benzyloxycarbonyl-2-hydroxymethylindoline PubChem CID: 2776402 IUPAC Name: benzyl 2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate SMILES: C1C(N(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)CO
| PubChem CID | 2776402 |
|---|---|
| CAS | 135829-04-8 |
| Molecular Weight (g/mol) | 283.327 |
| MDL Number | MFCD02682013 |
| SMILES | C1C(N(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)CO |
| Synonym | benzyl 2-hydroxymethyl-1-indolinecarboxylate,benzyl 2-hydroxymethyl indoline-1-carboxylate,benzyl 2-hydroxymethyl-2,3-dihydroindole-1-carboxylate,1h-indole-1-carboxylicacid, 2,3-dihydro-2-hydroxymethyl-, phenylmethyl ester,acmc-20c3wg,1-benzyloxycarbonylindoline-2-methanol,+/-1-benzyloxycarbonyl-2-hydroxymethylindoline |
| IUPAC Name | benzyl 2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate |
| InChI Key | QSMOQTIGILELKY-UHFFFAOYSA-N |
| Molecular Formula | C17H17NO3 |
5,6-Methylenedioxy-2-phenylindole, 97%
CAS: 64943-90-4 Molecular Formula: C15H11NO2 Molecular Weight (g/mol): 237.258 MDL Number: MFCD00798602 InChI Key: OURPDRQDIRKULF-UHFFFAOYSA-N Synonym: 5,6-methylenedioxy-2-phenylindole,6-phenyl-5h-1,3 dioxolo 4,5-f indole,6-phenyl-2h,5h-1,3 dioxolo 4,5-f indole,acmc-20am77,6-phenyl-5h-1,3-dioxolo 4,5-f indole,5h-1,3-dioxolo 4,5-f indole,6-phenyl,6-phenyl-2h-1,3-dioxolano 4,5-f indole PubChem CID: 4067102 IUPAC Name: 6-phenyl-5H-[1,3]dioxolo[4,5-f]indole SMILES: C1OC2=C(O1)C=C3C(=C2)C=C(N3)C4=CC=CC=C4
| PubChem CID | 4067102 |
|---|---|
| CAS | 64943-90-4 |
| Molecular Weight (g/mol) | 237.258 |
| MDL Number | MFCD00798602 |
| SMILES | C1OC2=C(O1)C=C3C(=C2)C=C(N3)C4=CC=CC=C4 |
| Synonym | 5,6-methylenedioxy-2-phenylindole,6-phenyl-5h-1,3 dioxolo 4,5-f indole,6-phenyl-2h,5h-1,3 dioxolo 4,5-f indole,acmc-20am77,6-phenyl-5h-1,3-dioxolo 4,5-f indole,5h-1,3-dioxolo 4,5-f indole,6-phenyl,6-phenyl-2h-1,3-dioxolano 4,5-f indole |
| IUPAC Name | 6-phenyl-5H-[1,3]dioxolo[4,5-f]indole |
| InChI Key | OURPDRQDIRKULF-UHFFFAOYSA-N |
| Molecular Formula | C15H11NO2 |
D-Glucurono-6,3-lactone, 99%
CAS: 32449-92-6 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.124 MDL Number: MFCD00135622 InChI Key: UYUXSRADSPPKRZ-KKQCNMDGSA-N Synonym: d-glucuro-3,6-lactone PubChem CID: 91634076 IUPAC Name: (2S)-2-[(2S,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde SMILES: C(=O)C(C1C(C(C(=O)O1)O)O)O
| PubChem CID | 91634076 |
|---|---|
| CAS | 32449-92-6 |
| Molecular Weight (g/mol) | 176.124 |
| MDL Number | MFCD00135622 |
| SMILES | C(=O)C(C1C(C(C(=O)O1)O)O)O |
| Synonym | d-glucuro-3,6-lactone |
| IUPAC Name | (2S)-2-[(2S,3S,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde |
| InChI Key | UYUXSRADSPPKRZ-KKQCNMDGSA-N |
| Molecular Formula | C6H8O6 |
2-Fluoro-3-nitropyridine, 98%
CAS: 1480-87-1 Molecular Formula: C5H3FN2O2 Molecular Weight (g/mol): 142.09 MDL Number: MFCD03095068 InChI Key: QDKIYDGHCFZBGC-UHFFFAOYSA-N Synonym: 2-fluoro-3-nitro-pyridine,pyridine, 2-fluoro-3-nitro,pubchem1115,acmc-1bwlp,2-fluor-3-nitropyridine,2-fluoro-3-nitropyridine,ksc174g2n PubChem CID: 2762817 IUPAC Name: 2-fluoro-3-nitropyridine SMILES: [O-][N+](=O)C1=C(F)N=CC=C1
| PubChem CID | 2762817 |
|---|---|
| CAS | 1480-87-1 |
| Molecular Weight (g/mol) | 142.09 |
| MDL Number | MFCD03095068 |
| SMILES | [O-][N+](=O)C1=C(F)N=CC=C1 |
| Synonym | 2-fluoro-3-nitro-pyridine,pyridine, 2-fluoro-3-nitro,pubchem1115,acmc-1bwlp,2-fluor-3-nitropyridine,2-fluoro-3-nitropyridine,ksc174g2n |
| IUPAC Name | 2-fluoro-3-nitropyridine |
| InChI Key | QDKIYDGHCFZBGC-UHFFFAOYSA-N |
| Molecular Formula | C5H3FN2O2 |
3-Hydroxypyridine-4-carboxylic acid, 98%
CAS: 10128-71-9 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00234165 InChI Key: JEHGATQUCUYHJL-UHFFFAOYSA-N Synonym: 3-hydroxyisonicotinic acid,3-hydroxy-4-pyridinecarboxylic acid,3-hydroxy-4-pyridinecarboxylicacid,4-pyridinecarboxylic acid, 3-hydroxy,3-hydroxy pyridine-4-carboxylic acid,3-hydroxyisonicontinic acid,pubchem16741,acmc-1bs5o,3-hydroxy-isonicotinic acid PubChem CID: 459503 IUPAC Name: 3-hydroxypyridine-4-carboxylic acid SMILES: C1=CN=CC(=C1C(=O)O)O
| PubChem CID | 459503 |
|---|---|
| CAS | 10128-71-9 |
| Molecular Weight (g/mol) | 139.11 |
| MDL Number | MFCD00234165 |
| SMILES | C1=CN=CC(=C1C(=O)O)O |
| Synonym | 3-hydroxyisonicotinic acid,3-hydroxy-4-pyridinecarboxylic acid,3-hydroxy-4-pyridinecarboxylicacid,4-pyridinecarboxylic acid, 3-hydroxy,3-hydroxy pyridine-4-carboxylic acid,3-hydroxyisonicontinic acid,pubchem16741,acmc-1bs5o,3-hydroxy-isonicotinic acid |
| IUPAC Name | 3-hydroxypyridine-4-carboxylic acid |
| InChI Key | JEHGATQUCUYHJL-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO3 |
5-Hydroxyindole-3-acetic Acid, 99%
CAS: 54-16-0 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.19 MDL Number: MFCD00005639 InChI Key: DUUGKQCEGZLZNO-UHFFFAOYSA-N Synonym: 5-hydroxyindole-3-acetic acid,5-hiaa,2-5-hydroxy-1h-indol-3-yl acetic acid,5-hydroxyindoleacetic acid,5-hydroxyheteroauxin,5-hydroxy-1h-indol-3-yl acetic acid,5-oxyindoleacetic acid,hydroxyindoleacetic acid,5-hydroxy-iaa,5-hydroxyindol-3-ylacetic acid PubChem CID: 1826 ChEBI: CHEBI:27823 IUPAC Name: 2-(5-hydroxy-1H-indol-3-yl)acetic acid SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(=O)O
| PubChem CID | 1826 |
|---|---|
| CAS | 54-16-0 |
| Molecular Weight (g/mol) | 191.19 |
| ChEBI | CHEBI:27823 |
| MDL Number | MFCD00005639 |
| SMILES | C1=CC2=C(C=C1O)C(=CN2)CC(=O)O |
| Synonym | 5-hydroxyindole-3-acetic acid,5-hiaa,2-5-hydroxy-1h-indol-3-yl acetic acid,5-hydroxyindoleacetic acid,5-hydroxyheteroauxin,5-hydroxy-1h-indol-3-yl acetic acid,5-oxyindoleacetic acid,hydroxyindoleacetic acid,5-hydroxy-iaa,5-hydroxyindol-3-ylacetic acid |
| IUPAC Name | 2-(5-hydroxy-1H-indol-3-yl)acetic acid |
| InChI Key | DUUGKQCEGZLZNO-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO3 |
2-Phenylpyridine, 97%
CAS: 1008-89-5 Molecular Formula: C11H9N Molecular Weight (g/mol): 155.20 MDL Number: MFCD00006280,MFCD31699954 InChI Key: VQGHOUODWALEFC-UHFFFAOYSA-N Synonym: pyridine, 2-phenyl,o-phenylpyridine,pyridine, phenyl,2-phenyl-pyridine,phenyl pyridine,2-azabiphenyl,2-phenyl pyridine,2-phenylpyridine,pubchem13085,2-phenylpyridine???? PubChem CID: 13887 IUPAC Name: 2-phenylpyridine SMILES: C1=CC=C(C=C1)C1=CC=CC=N1
| PubChem CID | 13887 |
|---|---|
| CAS | 1008-89-5 |
| Molecular Weight (g/mol) | 155.20 |
| MDL Number | MFCD00006280,MFCD31699954 |
| SMILES | C1=CC=C(C=C1)C1=CC=CC=N1 |
| Synonym | pyridine, 2-phenyl,o-phenylpyridine,pyridine, phenyl,2-phenyl-pyridine,phenyl pyridine,2-azabiphenyl,2-phenyl pyridine,2-phenylpyridine,pubchem13085,2-phenylpyridine???? |
| IUPAC Name | 2-phenylpyridine |
| InChI Key | VQGHOUODWALEFC-UHFFFAOYSA-N |
| Molecular Formula | C11H9N |
Benzothiazole, 97%
CAS: 95-16-9 Molecular Formula: C7H5NS Molecular Weight (g/mol): 135.18 MDL Number: MFCD00005775 InChI Key: IOJUPLGTWVMSFF-UHFFFAOYSA-N Synonym: benzothiazole,benzo d thiazole,benzosulfonazole,1-thia-3-azaindene,vangard bt,benzothiazol,usaf ek-4812,benzthiazole,fema number 3256,unii-g5bw2593ep PubChem CID: 7222 ChEBI: CHEBI:45993 IUPAC Name: 1,3-benzothiazole SMILES: C1=CC=C2C(=C1)N=CS2
| PubChem CID | 7222 |
|---|---|
| CAS | 95-16-9 |
| Molecular Weight (g/mol) | 135.18 |
| ChEBI | CHEBI:45993 |
| MDL Number | MFCD00005775 |
| SMILES | C1=CC=C2C(=C1)N=CS2 |
| Synonym | benzothiazole,benzo d thiazole,benzosulfonazole,1-thia-3-azaindene,vangard bt,benzothiazol,usaf ek-4812,benzthiazole,fema number 3256,unii-g5bw2593ep |
| IUPAC Name | 1,3-benzothiazole |
| InChI Key | IOJUPLGTWVMSFF-UHFFFAOYSA-N |
| Molecular Formula | C7H5NS |
1-O-Methyl-2-deoxy-D-ribose, 90%
CAS: 60134-26-1 Molecular Formula: C6H12O4 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00134161 InChI Key: NVGJZDFWPSOTHM-XCSHRFQENA-N Synonym: 1-o-methyl-2-deoxy-d-ribose,2r,3s-2-hydroxymethyl-5-methoxytetrahydrofuran-3-ol,methyl 2-deoxy-d-ribofuranoside,2r,3s-2-hydroxymethyl-5-methoxyoxolan-3-ol,methyl 2-deoxyribofuranoside,methyl-2-deoxy-d-erythro pentofuranoside,d-erythro-pentofuranoside, methyl 2-deoxy,pubchem9694,methyl 2-deoxy-d-erythro-pentofuranoside PubChem CID: 10154128 IUPAC Name: (2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol SMILES: COC1C[C@H](O)[C@@H](CO)O1
| PubChem CID | 10154128 |
|---|---|
| CAS | 60134-26-1 |
| Molecular Weight (g/mol) | 148.16 |
| MDL Number | MFCD00134161 |
| SMILES | COC1C[C@H](O)[C@@H](CO)O1 |
| Synonym | 1-o-methyl-2-deoxy-d-ribose,2r,3s-2-hydroxymethyl-5-methoxytetrahydrofuran-3-ol,methyl 2-deoxy-d-ribofuranoside,2r,3s-2-hydroxymethyl-5-methoxyoxolan-3-ol,methyl 2-deoxyribofuranoside,methyl-2-deoxy-d-erythro pentofuranoside,d-erythro-pentofuranoside, methyl 2-deoxy,pubchem9694,methyl 2-deoxy-d-erythro-pentofuranoside |
| IUPAC Name | (2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol |
| InChI Key | NVGJZDFWPSOTHM-XCSHRFQENA-N |
| Molecular Formula | C6H12O4 |
2,3-Difluoro-5-(trifluoromethyl)pyridine, 98%
CAS: 89402-42-6 Molecular Formula: C6H2F5N Molecular Weight (g/mol): 183.08 MDL Number: MFCD04972837 InChI Key: XIFCGIKPAAZFFS-UHFFFAOYSA-N Synonym: 2,3-difluoro-5-trifluoromethyl pyridine,2,3-difluoro-5-trifluoromethyl-pyridine,pyridine,2,3-difluoro-5-trifluoromethyl,pyridine, 2,3-difluoro-5-trifluoromethyl,acmc-20dwi8,2,3-di-fluoro-5-trifluoromethyl pyridine,alpha,alpha,alpha,5,6-pentafluoro-3-picoline,2,3-bis fluoranyl-5-trifluoromethyl pyridine PubChem CID: 13421547 IUPAC Name: 2,3-difluoro-5-(trifluoromethyl)pyridine SMILES: FC1=C(F)N=CC(=C1)C(F)(F)F
| PubChem CID | 13421547 |
|---|---|
| CAS | 89402-42-6 |
| Molecular Weight (g/mol) | 183.08 |
| MDL Number | MFCD04972837 |
| SMILES | FC1=C(F)N=CC(=C1)C(F)(F)F |
| Synonym | 2,3-difluoro-5-trifluoromethyl pyridine,2,3-difluoro-5-trifluoromethyl-pyridine,pyridine,2,3-difluoro-5-trifluoromethyl,pyridine, 2,3-difluoro-5-trifluoromethyl,acmc-20dwi8,2,3-di-fluoro-5-trifluoromethyl pyridine,alpha,alpha,alpha,5,6-pentafluoro-3-picoline,2,3-bis fluoranyl-5-trifluoromethyl pyridine |
| IUPAC Name | 2,3-difluoro-5-(trifluoromethyl)pyridine |
| InChI Key | XIFCGIKPAAZFFS-UHFFFAOYSA-N |
| Molecular Formula | C6H2F5N |
7-Bromo-1-hydroxyisoquinoline, 97%
CAS: 223671-15-6 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.057 MDL Number: MFCD02093963 InChI Key: DSOKREQUHLPVFR-UHFFFAOYSA-N PubChem CID: 11276133 IUPAC Name: 7-bromo-2H-isoquinolin-1-one SMILES: C1=CC(=CC2=C1C=CNC2=O)Br
| PubChem CID | 11276133 |
|---|---|
| CAS | 223671-15-6 |
| Molecular Weight (g/mol) | 224.057 |
| MDL Number | MFCD02093963 |
| SMILES | C1=CC(=CC2=C1C=CNC2=O)Br |
| IUPAC Name | 7-bromo-2H-isoquinolin-1-one |
| InChI Key | DSOKREQUHLPVFR-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO |
Polyvinylpyrrolidone K-90, Spectrum™ Chemical
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CAS: 9003-39-8
| CAS | 9003-39-8 |
|---|
2,8-Bis(trifluoromethyl)-4-quinolinol, 99%, Thermo Scientific™
CAS: 35853-41-9 Molecular Formula: C11H5F6NO Molecular Weight (g/mol): 281.15 MDL Number: MFCD00075091 InChI Key: JIWHKBAFGFPZKM-UHFFFAOYSA-N Synonym: 2,8-bis trifluoromethyl-4-hydroxyquinoline,2,8-bis trifluoromethyl quinolin-4-ol,2,8-bis trifluoromethyl-4-quinolinol,2,8-bis trifluoromethyl-1h-quinolin-4-one,2,8-bis-trifluoromethyl-quinolin-4-ol,cc-pmlsc-dma-p104,4-quinolinol, 2,8-bis trifluoromethyl,2,8-bis trifluoromethyl-4-hydroxy quinoleine,2,8-di trifluoromethyl quinolin-4-ol,pubchem5934 PubChem CID: 736140 IUPAC Name: 2,8-bis(trifluoromethyl)-1H-quinolin-4-one SMILES: C1=CC2=C(C(=C1)C(F)(F)F)NC(=CC2=O)C(F)(F)F
| PubChem CID | 736140 |
|---|---|
| CAS | 35853-41-9 |
| Molecular Weight (g/mol) | 281.15 |
| MDL Number | MFCD00075091 |
| SMILES | C1=CC2=C(C(=C1)C(F)(F)F)NC(=CC2=O)C(F)(F)F |
| Synonym | 2,8-bis trifluoromethyl-4-hydroxyquinoline,2,8-bis trifluoromethyl quinolin-4-ol,2,8-bis trifluoromethyl-4-quinolinol,2,8-bis trifluoromethyl-1h-quinolin-4-one,2,8-bis-trifluoromethyl-quinolin-4-ol,cc-pmlsc-dma-p104,4-quinolinol, 2,8-bis trifluoromethyl,2,8-bis trifluoromethyl-4-hydroxy quinoleine,2,8-di trifluoromethyl quinolin-4-ol,pubchem5934 |
| IUPAC Name | 2,8-bis(trifluoromethyl)-1H-quinolin-4-one |
| InChI Key | JIWHKBAFGFPZKM-UHFFFAOYSA-N |
| Molecular Formula | C11H5F6NO |
Pyrrole-3-carboxylic acid hydrate, 95%
CAS: 336100-46-0 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.10 MDL Number: MFCD06201862 InChI Key: DOYOPBSXEIZLRE-UHFFFAOYSA-N Synonym: pyrrole-3-carboxylic acid hydrate,1h-pyrrole-3-carboxylic acid hydrate,c5h5no2.h2o,1h-pyrrole-3-carboxylicacid, hydrate 1:? PubChem CID: 45076181 IUPAC Name: 1H-pyrrole-3-carboxylic acid;hydrate SMILES: OC(=O)C1=CNC=C1
| PubChem CID | 45076181 |
|---|---|
| CAS | 336100-46-0 |
| Molecular Weight (g/mol) | 111.10 |
| MDL Number | MFCD06201862 |
| SMILES | OC(=O)C1=CNC=C1 |
| Synonym | pyrrole-3-carboxylic acid hydrate,1h-pyrrole-3-carboxylic acid hydrate,c5h5no2.h2o,1h-pyrrole-3-carboxylicacid, hydrate 1:? |
| IUPAC Name | 1H-pyrrole-3-carboxylic acid;hydrate |
| InChI Key | DOYOPBSXEIZLRE-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO2 |
Benzo[b]thiophene-2-carboxylic hydrazide, 97%
CAS: 175135-07-6 Molecular Formula: C9H8N2OS Molecular Weight (g/mol): 192.24 MDL Number: MFCD00052501 InChI Key: ZXKPFIRPUUAAPQ-UHFFFAOYSA-N Synonym: benzo b thiophene-2-carbohydrazide,benzo b thiophene-2-carboxylic hydrazide,thianaphthene-2-carboxylic hydrazide,benzo b thiophene-2-carboxylicacid, hydrazide,maybridge1_008989,acmc-1c3go,#,benzo b thiophene-2-carboxylic acid hydrazide PubChem CID: 519437 IUPAC Name: 1-benzothiophene-2-carbohydrazide SMILES: NNC(=O)C1=CC2=CC=CC=C2S1
| PubChem CID | 519437 |
|---|---|
| CAS | 175135-07-6 |
| Molecular Weight (g/mol) | 192.24 |
| MDL Number | MFCD00052501 |
| SMILES | NNC(=O)C1=CC2=CC=CC=C2S1 |
| Synonym | benzo b thiophene-2-carbohydrazide,benzo b thiophene-2-carboxylic hydrazide,thianaphthene-2-carboxylic hydrazide,benzo b thiophene-2-carboxylicacid, hydrazide,maybridge1_008989,acmc-1c3go,#,benzo b thiophene-2-carboxylic acid hydrazide |
| IUPAC Name | 1-benzothiophene-2-carbohydrazide |
| InChI Key | ZXKPFIRPUUAAPQ-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2OS |