Vitas-M small molecule compound
(8S,8aR,11aS)-10-(4-acetylphenyl)-8-[(2,5-dimethoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK580480
SMILES COc1ccc(c(c1)C(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)c1ccc(cc1)C(=O)C)OC
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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)18-8-10-20(11-9-18)33-30(36)25-26(31(33)37)28(29(35)23-16-21(38-2)12-13-24(23)39-3)32-15-14-19-6-4-5-7-22(19)27(25)32/h4-16,25-28H,1-3H3/t25-,26+,27?,28-/m0/s1InChIKey
OMIRWXWRHQAJII-SHDBXLOZSA-NSynonyms
1013836-55-9(8S8aR11aS)10(4acetylphenyl)8((25dimethoxyphenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)10(4acetylphenyl)8(25dimethoxybenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1013836559
CC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=C(C=CC(=C6)OC)OC
COc1ccc(c(c1)C(=O)(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)c1ccc(cc1)C(=O)C)OC
InChI=1SC31H26N2O6c117(34)1881020(11918)3330(36)2526(31(33)37)28(29(35)231621(382)121324(23)393)32151419645722(19)27(25)32h4162528H13H3t2526+27?28m0s1
MFCD18245652
ZINC000015996074
ZINC000034688093
Check stock
See real-time availability and sample size for STK580480 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.