Vitas-M small molecule compound
5-methyl-2-(propan-2-yl)phenyl 8-(1,3-benzodioxol-5-yl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Catalog ID
STL234467
SMILES Cc1ccc(c(c1)OC(=O)C1N2C(C3C1C(=O)N(C3=O)c1ccc3c(c1)OCO3)C=Cc1c2cccc1)C(C)C
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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 C32H28N2O6 MW 536.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N2O6/c1-17(2)21-11-8-18(3)14-25(21)40-32(37)29-28-27(23-12-9-19-6-4-5-7-22(19)34(23)29)30(35)33(31(28)36)20-10-13-24-26(15-20)39-16-38-24/h4-15,17,23,27-29H,16H2,1-3H3InChIKey
HXKXEPHDICFVBG-UHFFFAOYSA-NSynonyms
(6aR6bS9aR10S)2isopropyl5methylphenyl8(benzo(d)(13)dioxol5yl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxylate
5methyl2(propan2yl)phenyl8(13benzodioxol5yl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxylate
CC1=CC(=C(C=C1)C(C)C)OC(=O)C2C3C(C4N2C5=CC=CC=C5C=C4)C(=O)N(C3=O)C6=CC7=C(C=C6)OCO7
Cc1ccc(c(c1)OC(=O)(C@H)1N2(C@@H)((C@@H)3(C@H)1C(=O)N(C3=O)c1ccc3c(c1)OCO3)C=Cc1c2cccc1)C(C)C
InChI=1SC32H28N2O6c117(2)2111818(3)1425(21)4032(37)292827(2312919645722(19)34(23)29)30(35)33(31(28)36)2010132426(1520)39163824h41517232729H16H213H3
MFCD24858449
ZINC000100835974
ZINC000247864428
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.