Vitas-M small molecule compound
(8S,8aR,11aS)-10-(1,3-benzodioxol-5-yl)-8-[(4-methoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK545979
SMILES COc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)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 C29H22N2O6 MW 494.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O6/c1-35-19-9-6-17(7-10-19)27(32)26-24-23(25-20-5-3-2-4-16(20)12-13-30(25)26)28(33)31(29(24)34)18-8-11-21-22(14-18)37-15-36-21/h2-14,23-26H,15H2,1H3/t23-,24+,25?,26-/m0/s1InChIKey
XQJHKJMQCLFBQZ-HLMSNRGBSA-NSynonyms
956938-30-0(8S8aR11aS)10(13benzodioxol5yl)8((4methoxyphenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)10(benzo(d)(13)dioxol5yl)8(4methoxybenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
956938300
COC1=CC=C(C=C1)C(=O)C2C3C(C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC7=C(C=C6)OCO7
COc1ccc(cc1)C(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3
InChI=1SC29H22N2O6c135199617(71019)27(32)262423(2520532416(20)121330(25)26)28(33)31(29(24)34)188112122(1418)37153621h2142326H15H21H3t2324+25?26m0s1
MFCD18242261
ZINC000016037706
ZINC000043716736
Check stock
See real-time availability and sample size for STK545979 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.