Organoheterocyclic compounds
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3-(2-Furyl)propanoic acid, 98%
CAS: 935-13-7 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.14 InChI Key: XLTJXJJMUFDQEZ-UHFFFAOYSA-N Synonym: 3-furan-2-yl propanoic acid,3-2-furyl propanoic acid,2-furanpropanoic acid,2-furanpropionic acid,3-2-furyl propionic acid,3-furan-2-yl-propionic acid,furan-2-propionic acid,3-2-furyl propoinic acid,furfuryl-essigsaure,furfurylacetic acid PubChem CID: 70286 IUPAC Name: 3-(furan-2-yl)propanoic acid SMILES: C1=COC(=C1)CCC(=O)O
| PubChem CID | 70286 |
|---|---|
| CAS | 935-13-7 |
| Molecular Weight (g/mol) | 140.14 |
| SMILES | C1=COC(=C1)CCC(=O)O |
| Synonym | 3-furan-2-yl propanoic acid,3-2-furyl propanoic acid,2-furanpropanoic acid,2-furanpropionic acid,3-2-furyl propionic acid,3-furan-2-yl-propionic acid,furan-2-propionic acid,3-2-furyl propoinic acid,furfuryl-essigsaure,furfurylacetic acid |
| IUPAC Name | 3-(furan-2-yl)propanoic acid |
| InChI Key | XLTJXJJMUFDQEZ-UHFFFAOYSA-N |
| Molecular Formula | C7H8O3 |
5,7-Dichloro-1,6-naphthyridine, 97%
CAS: 337958-60-8 Molecular Formula: C8H4Cl2N2 Molecular Weight (g/mol): 199.04 InChI Key: HNRPBMNTCYRAJD-UHFFFAOYSA-N Synonym: pubchem14653,5,7-dichloro-1,6-napthyridine,1,6-naphthyridine,5,7-dichloro,1,6-naphthyridine, 5,7-dichloro,5,7-bis chloranyl-1,6-naphthyridine PubChem CID: 12204233 IUPAC Name: 5,7-dichloro-1,6-naphthyridine SMILES: C1=CC2=C(N=C(C=C2N=C1)Cl)Cl
| PubChem CID | 12204233 |
|---|---|
| CAS | 337958-60-8 |
| Molecular Weight (g/mol) | 199.04 |
| SMILES | C1=CC2=C(N=C(C=C2N=C1)Cl)Cl |
| Synonym | pubchem14653,5,7-dichloro-1,6-napthyridine,1,6-naphthyridine,5,7-dichloro,1,6-naphthyridine, 5,7-dichloro,5,7-bis chloranyl-1,6-naphthyridine |
| IUPAC Name | 5,7-dichloro-1,6-naphthyridine |
| InChI Key | HNRPBMNTCYRAJD-UHFFFAOYSA-N |
| Molecular Formula | C8H4Cl2N2 |
5-Bromo-2,1,3-benzoxadiazole, 97%, Thermo Scientific™
CAS: 51376-06-8 Molecular Formula: C6H3BrN2O Molecular Weight (g/mol): 199.01 MDL Number: MFCD02682026 InChI Key: ZWDFFESFCIACQC-UHFFFAOYSA-N Synonym: 5-bromobenzo c 1,2,5 oxadiazole,5-bromobenzofurazan,2,1,3-benzoxadiazole, 5-bromo,5-bromo-benzo 1,2,5 oxadiazole,2,1,3-benzoxadiazole,5-bromo,5-bromobenzfurazan,pubchem15922,acmc-209ktf,amth003,buttpark 85\04-54 PubChem CID: 2776298 IUPAC Name: 5-bromo-2,1,3-benzoxadiazole SMILES: BrC1=CC2=NON=C2C=C1
| PubChem CID | 2776298 |
|---|---|
| CAS | 51376-06-8 |
| Molecular Weight (g/mol) | 199.01 |
| MDL Number | MFCD02682026 |
| SMILES | BrC1=CC2=NON=C2C=C1 |
| Synonym | 5-bromobenzo c 1,2,5 oxadiazole,5-bromobenzofurazan,2,1,3-benzoxadiazole, 5-bromo,5-bromo-benzo 1,2,5 oxadiazole,2,1,3-benzoxadiazole,5-bromo,5-bromobenzfurazan,pubchem15922,acmc-209ktf,amth003,buttpark 85\04-54 |
| IUPAC Name | 5-bromo-2,1,3-benzoxadiazole |
| InChI Key | ZWDFFESFCIACQC-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrN2O |
3-Tropanylindole-3-carboxylate hydrochloride, Thermo Scientific Chemicals
CAS: 105826-92-4 Molecular Formula: C17H21ClN2O2 Molecular Weight (g/mol): 320.817 MDL Number: MFCD00210221 InChI Key: XIEGSJAEZIGKSA-ICHLHHFLSA-N Synonym: sdz-ics 930 PubChem CID: 71300439 IUPAC Name: [(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate;hydrochloride SMILES: CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43.Cl
| PubChem CID | 71300439 |
|---|---|
| CAS | 105826-92-4 |
| Molecular Weight (g/mol) | 320.817 |
| MDL Number | MFCD00210221 |
| SMILES | CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43.Cl |
| Synonym | sdz-ics 930 |
| IUPAC Name | [(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate;hydrochloride |
| InChI Key | XIEGSJAEZIGKSA-ICHLHHFLSA-N |
| Molecular Formula | C17H21ClN2O2 |
2-(4-Methylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde, 97%, Thermo Scientific™
CAS: 320423-50-5 Molecular Formula: C9H13N3OS Molecular Weight (g/mol): 211.283 MDL Number: MFCD01568852 InChI Key: TUJAFVJUJXMFEG-UHFFFAOYSA-N Synonym: 2-4-methylpiperazin-1-yl-1,3-thiazole-5-carbaldehyde,2-4-methylpiperazino-1,3-thiazole-5-carbaldehyde,2-4-methylpiperazin-1-yl thiazole-5-carbaldehyde,2-4-methyl-1-piperazinyl thiazole-5-carboxaldehyde,2-4-methylpiperazin-1-yl thiazole-5-carboxaldehyde,2-4-methylpiperazinyl-1,3-thiazole-5-carbaldehyde,acmc-20aoov,methylpiperazinothiazolecarbaldehyde PubChem CID: 1490234 IUPAC Name: 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde SMILES: CN1CCN(CC1)C2=NC=C(S2)C=O
| PubChem CID | 1490234 |
|---|---|
| CAS | 320423-50-5 |
| Molecular Weight (g/mol) | 211.283 |
| MDL Number | MFCD01568852 |
| SMILES | CN1CCN(CC1)C2=NC=C(S2)C=O |
| Synonym | 2-4-methylpiperazin-1-yl-1,3-thiazole-5-carbaldehyde,2-4-methylpiperazino-1,3-thiazole-5-carbaldehyde,2-4-methylpiperazin-1-yl thiazole-5-carbaldehyde,2-4-methyl-1-piperazinyl thiazole-5-carboxaldehyde,2-4-methylpiperazin-1-yl thiazole-5-carboxaldehyde,2-4-methylpiperazinyl-1,3-thiazole-5-carbaldehyde,acmc-20aoov,methylpiperazinothiazolecarbaldehyde |
| IUPAC Name | 2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde |
| InChI Key | TUJAFVJUJXMFEG-UHFFFAOYSA-N |
| Molecular Formula | C9H13N3OS |
2-(2-Propynyloxy)tetrahydro-2H-pyran, 98%
CAS: 6089-04-9 Molecular Formula: C8H12O2 Molecular Weight (g/mol): 140.18 MDL Number: MFCD00006604 InChI Key: HQAXHIGPGBPPFU-UHFFFAOYNA-N Synonym: tetrahydro-2-2-propynyloxy-2h-pyran,2-2-propynyloxy tetrahydropyran,2-propargyloxane,2-prop-2-yn-1-yloxy tetrahydro-2h-pyran,2-propargyloxy tetrahydropyran,propargyl 2-tetrahydropyranyl ether,propargyl alcohol tetrahydropyranyl ether,2h-pyran, tetrahydro-2-2-propynyloxy,2-propynyl 2-pyranyl ether,3-2'-tetrahydropyranyloxy propyne PubChem CID: 98609
| PubChem CID | 98609 |
|---|---|
| CAS | 6089-04-9 |
| Molecular Weight (g/mol) | 140.18 |
| MDL Number | MFCD00006604 |
| Synonym | tetrahydro-2-2-propynyloxy-2h-pyran,2-2-propynyloxy tetrahydropyran,2-propargyloxane,2-prop-2-yn-1-yloxy tetrahydro-2h-pyran,2-propargyloxy tetrahydropyran,propargyl 2-tetrahydropyranyl ether,propargyl alcohol tetrahydropyranyl ether,2h-pyran, tetrahydro-2-2-propynyloxy,2-propynyl 2-pyranyl ether,3-2'-tetrahydropyranyloxy propyne |
| InChI Key | HQAXHIGPGBPPFU-UHFFFAOYNA-N |
| Molecular Formula | C8H12O2 |
5-Methoxy-2-methyl-3-indoleacetic acid, 98%
CAS: 2882-15-7 Molecular Formula: C12H13NO3 Molecular Weight (g/mol): 219.24 MDL Number: MFCD00005618 InChI Key: TXWGINUZLBAKDF-UHFFFAOYSA-N Synonym: 5-methoxy-2-methyl-3-indoleacetic acid,5 miaa,2-5-methoxy-2-methyl-1h-indol-3-yl acetic acid,5-methoxy-2-methyl-1h-indol-3-yl acetic acid,1h-indole-3-acetic acid, 5-methoxy-2-methyl,n-deschlorobenzoyl indomethacin,5-methoxy-2-methylindole-3-acetic acid,5-methoxy-methylindoleacetic acid,deschlorobenzoyl indomethacin,5-methoxy-2-methyl indole acetic acid PubChem CID: 76151 IUPAC Name: 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid SMILES: CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)O
| PubChem CID | 76151 |
|---|---|
| CAS | 2882-15-7 |
| Molecular Weight (g/mol) | 219.24 |
| MDL Number | MFCD00005618 |
| SMILES | CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)O |
| Synonym | 5-methoxy-2-methyl-3-indoleacetic acid,5 miaa,2-5-methoxy-2-methyl-1h-indol-3-yl acetic acid,5-methoxy-2-methyl-1h-indol-3-yl acetic acid,1h-indole-3-acetic acid, 5-methoxy-2-methyl,n-deschlorobenzoyl indomethacin,5-methoxy-2-methylindole-3-acetic acid,5-methoxy-methylindoleacetic acid,deschlorobenzoyl indomethacin,5-methoxy-2-methyl indole acetic acid |
| IUPAC Name | 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetic acid |
| InChI Key | TXWGINUZLBAKDF-UHFFFAOYSA-N |
| Molecular Formula | C12H13NO3 |
1-Hexadecyl-3-methylimidazolium chloride monohydrate, 98%
CAS: 404001-62-3 Molecular Formula: C20H41ClN2O Molecular Weight (g/mol): 361.01 MDL Number: MFCD07773044 InChI Key: YCRGEJFZTMXLMF-UHFFFAOYSA-M Synonym: 1-hexadecyl-3-methyl-1h-imidazol-3-ium chloride hydrate,1-hexadecyl-3-methylimidazolium chloride monohydrate,1-hexadecyl-3-methyl-1h-imidazolium chloride hydrate PubChem CID: 60160661 IUPAC Name: 1-hexadecyl-3-methylimidazol-3-ium;chloride;hydrate SMILES: O.[Cl-].CCCCCCCCCCCCCCCCN1C=C[N+](C)=C1
| PubChem CID | 60160661 |
|---|---|
| CAS | 404001-62-3 |
| Molecular Weight (g/mol) | 361.01 |
| MDL Number | MFCD07773044 |
| SMILES | O.[Cl-].CCCCCCCCCCCCCCCCN1C=C[N+](C)=C1 |
| Synonym | 1-hexadecyl-3-methyl-1h-imidazol-3-ium chloride hydrate,1-hexadecyl-3-methylimidazolium chloride monohydrate,1-hexadecyl-3-methyl-1h-imidazolium chloride hydrate |
| IUPAC Name | 1-hexadecyl-3-methylimidazol-3-ium;chloride;hydrate |
| InChI Key | YCRGEJFZTMXLMF-UHFFFAOYSA-M |
| Molecular Formula | C20H41ClN2O |
Methyl 2-aminopyridine-4-carboxylate, 97%
CAS: 6937-03-7 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD04039316 InChI Key: SVWWNEYBEFASMP-UHFFFAOYSA-N Synonym: methyl 2-aminoisonicotinate,2-aminopyridine-4-carboxylic acid methyl ester,2-aminoisonicotinic acid methyl ester,4-methoxycarbonyl pyridin-2-amine,4-pyridinecarboxylic acid, 2-amino-, methyl ester,methyl 2-amino-4-pyridinecarboxylate,methyl-2-aminopyridine-4-carboxylate,2-amino-4-pyridinecarboxylic acid methylester,2-amino-4-pyridinecarboxylic acid methyl ester,methyl-2-aminoisonicotinat PubChem CID: 236984 IUPAC Name: methyl 2-aminopyridine-4-carboxylate SMILES: COC(=O)C1=CC(=NC=C1)N
| PubChem CID | 236984 |
|---|---|
| CAS | 6937-03-7 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD04039316 |
| SMILES | COC(=O)C1=CC(=NC=C1)N |
| Synonym | methyl 2-aminoisonicotinate,2-aminopyridine-4-carboxylic acid methyl ester,2-aminoisonicotinic acid methyl ester,4-methoxycarbonyl pyridin-2-amine,4-pyridinecarboxylic acid, 2-amino-, methyl ester,methyl 2-amino-4-pyridinecarboxylate,methyl-2-aminopyridine-4-carboxylate,2-amino-4-pyridinecarboxylic acid methylester,2-amino-4-pyridinecarboxylic acid methyl ester,methyl-2-aminoisonicotinat |
| IUPAC Name | methyl 2-aminopyridine-4-carboxylate |
| InChI Key | SVWWNEYBEFASMP-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
3-Furaldehyde diethyl acetal, 98%, Thermo Scientific Chemicals
CAS: 216144-29-5 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.21 MDL Number: MFCD01318151 InChI Key: MTZMXGCDOYBCPN-UHFFFAOYSA-N Synonym: 3-diethoxymethyl furan,3-furaldehyde diethyl acetal,furan,3-diethoxymethyl,diethoxy-3-furylmethane,acmc-1ckie PubChem CID: 7006657 IUPAC Name: 3-(diethoxymethyl)furan SMILES: CCOC(OCC)C1=COC=C1
| PubChem CID | 7006657 |
|---|---|
| CAS | 216144-29-5 |
| Molecular Weight (g/mol) | 170.21 |
| MDL Number | MFCD01318151 |
| SMILES | CCOC(OCC)C1=COC=C1 |
| Synonym | 3-diethoxymethyl furan,3-furaldehyde diethyl acetal,furan,3-diethoxymethyl,diethoxy-3-furylmethane,acmc-1ckie |
| IUPAC Name | 3-(diethoxymethyl)furan |
| InChI Key | MTZMXGCDOYBCPN-UHFFFAOYSA-N |
| Molecular Formula | C9H14O3 |
2,2'-Bipyridine, 99%, Spectrum™ Chemical
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CAS: 366-18-7
| CAS | 366-18-7 |
|---|
2-Cyano-3,5-difluoropyridine, 98%, Thermo Scientific Chemicals
CAS: 298709-29-2 Molecular Formula: C6H2F2N2 Molecular Weight (g/mol): 140.093 MDL Number: MFCD03788759 InChI Key: WLBIFECTHKFYKV-UHFFFAOYSA-N Synonym: 2-cyano-3,5-difluoropyridine,3,5-difluoropicolinonitrile,3,5-difluoro-2-cyanopyridine,2-pyridinecarbonitrile, 3,5-difluoro,3,5-difluoropicolinitrile,abbypharma ap-15-5175,2-cyano-3,5-difluorpyridine,3,5-difluoro-2-pyridinecarbonitrile,pubchem15234,acmc-209z3h PubChem CID: 2783253 IUPAC Name: 3,5-difluoropyridine-2-carbonitrile SMILES: C1=C(C=NC(=C1F)C#N)F
| PubChem CID | 2783253 |
|---|---|
| CAS | 298709-29-2 |
| Molecular Weight (g/mol) | 140.093 |
| MDL Number | MFCD03788759 |
| SMILES | C1=C(C=NC(=C1F)C#N)F |
| Synonym | 2-cyano-3,5-difluoropyridine,3,5-difluoropicolinonitrile,3,5-difluoro-2-cyanopyridine,2-pyridinecarbonitrile, 3,5-difluoro,3,5-difluoropicolinitrile,abbypharma ap-15-5175,2-cyano-3,5-difluorpyridine,3,5-difluoro-2-pyridinecarbonitrile,pubchem15234,acmc-209z3h |
| IUPAC Name | 3,5-difluoropyridine-2-carbonitrile |
| InChI Key | WLBIFECTHKFYKV-UHFFFAOYSA-N |
| Molecular Formula | C6H2F2N2 |
7-Hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine, 98%
CAS: 2503-56-2 Molecular Formula: C6H6N4O MDL Number: MFCD00005555 InChI Key: INVVMIXYILXINW-UHFFFAOYSA-N Synonym: 5-methyl-1,2,4 triazolo 1,5-a pyrimidin-7-ol,7-hydroxy-5-methyl-1,3,4-triazaindolizine,methyl hydroxytriazaindolizine,1,2,4 triazolo 1,5-a pyrimidin-7-ol, 5-methyl,5-methyl-7-hydroxy-1,3,4-triazaindolizine,5-methyl-1h-1,2,4 triazolo 1,5-a pyrimidin-7-one,5-methyl-s-triazolo 1,5-a pyrimidin-7-ol,s-triazolo 1,5-a pyrimidin-7-ol, 5-methyl,5-methyl-1,2,4-triazolo 1,5-a pyrimidin-7-ol,5-methyl 1,2,4 triazolo 1,5-a pyrimidin-7-ol PubChem CID: 75629
| PubChem CID | 75629 |
|---|---|
| CAS | 2503-56-2 |
| MDL Number | MFCD00005555 |
| Synonym | 5-methyl-1,2,4 triazolo 1,5-a pyrimidin-7-ol,7-hydroxy-5-methyl-1,3,4-triazaindolizine,methyl hydroxytriazaindolizine,1,2,4 triazolo 1,5-a pyrimidin-7-ol, 5-methyl,5-methyl-7-hydroxy-1,3,4-triazaindolizine,5-methyl-1h-1,2,4 triazolo 1,5-a pyrimidin-7-one,5-methyl-s-triazolo 1,5-a pyrimidin-7-ol,s-triazolo 1,5-a pyrimidin-7-ol, 5-methyl,5-methyl-1,2,4-triazolo 1,5-a pyrimidin-7-ol,5-methyl 1,2,4 triazolo 1,5-a pyrimidin-7-ol |
| InChI Key | INVVMIXYILXINW-UHFFFAOYSA-N |
| Molecular Formula | C6H6N4O |
2-Bromo-5-fluoropyridine, 98%, Thermo Scientific Chemicals
CAS: 41404-58-4 Molecular Formula: C5H3BrFN Molecular Weight (g/mol): 175.98 MDL Number: MFCD00234011 InChI Key: UODINHBLNPPDPD-UHFFFAOYSA-N Synonym: 2-bromo-5-fluoro-pyridine,pyridine, 2-bromo-5-fluoro,pubchem1099,pubchem14324,2-bromo5-fluoropyridine,acmc-1assy,2-bromo-5-fluoropyridin,2-bromo-5-fluorpyridine,2-bromo-5-fluropyridine,5-fluoro-2-bromopyridine PubChem CID: 2783171 IUPAC Name: 2-bromo-5-fluoropyridine SMILES: C1=CC(=NC=C1F)Br
| PubChem CID | 2783171 |
|---|---|
| CAS | 41404-58-4 |
| Molecular Weight (g/mol) | 175.98 |
| MDL Number | MFCD00234011 |
| SMILES | C1=CC(=NC=C1F)Br |
| Synonym | 2-bromo-5-fluoro-pyridine,pyridine, 2-bromo-5-fluoro,pubchem1099,pubchem14324,2-bromo5-fluoropyridine,acmc-1assy,2-bromo-5-fluoropyridin,2-bromo-5-fluorpyridine,2-bromo-5-fluropyridine,5-fluoro-2-bromopyridine |
| IUPAC Name | 2-bromo-5-fluoropyridine |
| InChI Key | UODINHBLNPPDPD-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrFN |
Cyclopiazonic acid, 98%
CAS: 18172-33-3 Molecular Formula: C20H20N2O3 Molecular Weight (g/mol): 336.391 MDL Number: MFCD00167445 InChI Key: SZINUGQCTHLQAZ-AFAVFJNCSA-N Synonym: cyclopiazonic acid,alpha-cyclopiazonic acid,unii-x9tly4580z,ccris 4942,alpha-cyclopiazonate,cyclopyazonic acid,6ar,10z,11as,11br-10-1-hydroxyethylidene-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indole-9,11 2h,10h-dione,9h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-9-one, 2,6,6a,7,11a,11b-hexahydro-10-acetyl-7,7-dimethyl-11-hydroxy-, 6a-alpha,11a,11b-alpha,6ar,11as,11br-10-acetyl-9-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-11h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-11-one,ambotzls-1020 PubChem CID: 54711281 SMILES: CC(=O)C1=C(C2C3C(CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O
| PubChem CID | 54711281 |
|---|---|
| CAS | 18172-33-3 |
| Molecular Weight (g/mol) | 336.391 |
| MDL Number | MFCD00167445 |
| SMILES | CC(=O)C1=C(C2C3C(CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O |
| Synonym | cyclopiazonic acid,alpha-cyclopiazonic acid,unii-x9tly4580z,ccris 4942,alpha-cyclopiazonate,cyclopyazonic acid,6ar,10z,11as,11br-10-1-hydroxyethylidene-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indole-9,11 2h,10h-dione,9h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-9-one, 2,6,6a,7,11a,11b-hexahydro-10-acetyl-7,7-dimethyl-11-hydroxy-, 6a-alpha,11a,11b-alpha,6ar,11as,11br-10-acetyl-9-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-11h-pyrrolo 1',2':2,3 isoindolo 4,5,6-cd indol-11-one,ambotzls-1020 |
| InChI Key | SZINUGQCTHLQAZ-AFAVFJNCSA-N |
| Molecular Formula | C20H20N2O3 |