Vitas-M small molecule compound
8-(1,3-benzodioxol-5-ylcarbonyl)-10-(4-methylphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STL345465
SMILES Cc1ccc(cc1)N1C(=O)C2C(C1=O)C1N(C2C(=O)c2ccc3c(c2)OCO3)C=Cc2c1cccc2
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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 C29H22N2O5 MW 478.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O5/c1-16-6-9-19(10-7-16)31-28(33)23-24(29(31)34)26(27(32)18-8-11-21-22(14-18)36-15-35-21)30-13-12-17-4-2-3-5-20(17)25(23)30/h2-14,23-26H,15H2,1H3InChIKey
OMCDFHKEKMZSKE-UHFFFAOYSA-NSynonyms
(8S8aR11aS)8(benzo(d)(13)dioxole5carbonyl)10(ptolyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
8(13benzodioxol5ylcarbonyl)10(4methylphenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC7=C(C=C6)OCO7
Cc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2ccc3c(c2)OCO3)C=Cc2c1cccc2
InChI=1SC29H22N2O5c1166919(10716)3128(33)2324(29(31)34)26(27(32)188112122(1418)36153521)30131217423520(17)25(23)30h2142326H15H21H3
MFCD28032173
ZINC000015998892
ZINC000245311382
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