Vitas-M small molecule compound

10-(4-acetylphenyl)-8-[(3,4-dimethoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione

Catalog ID
STL152329
SMILES COc1ccc(cc1OC)C(=O)C1N2C=Cc3c(C2C2C1C(=O)N(C2=O)c1ccc(cc1)C(=O)C)cccc3

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C31H26N2O6 MW 522.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O6/c1-17(34)18-8-11-21(12-9-18)33-30(36)25-26(31(33)37)28(29(35)20-10-13-23(38-2)24(16-20)39-3)32-15-14-19-6-4-5-7-22(19)27(25)32/h4-16,25-28H,1-3H3
InChIKey
SDNWHAWEBTZBFC-UHFFFAOYSA-N
Synonyms

(8S8aR11aS)10(4acetylphenyl)8(34dimethoxybenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
10(4acetylphenyl)8((34dimethoxyphenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
CC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC(=C(C=C6)OC)OC
COc1ccc(cc1OC)C(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(cc1)C(=O)C)cccc3
InChI=1SC31H26N2O6c117(34)1881121(12918)3330(36)2526(31(33)37)28(29(35)20101323(382)24(1620)393)32151419645722(19)27(25)32h4162528H13H3
MFCD20756308
ZINC000015989179
ZINC000101097606

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Available files

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