Vitas-M small molecule compound
(8S,8aR,11aS)-10-(4-butoxyphenyl)-N-(4-chlorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Catalog ID
STK542192
SMILES CCCCOc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1C2c2ccccc2C=C1)C(=O)Nc1ccc(cc1)Cl
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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 C31H28ClN3O4 MW 542.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O4/c1-2-3-18-39-23-14-12-22(13-15-23)35-30(37)25-26(31(35)38)28(29(36)33-21-10-8-20(32)9-11-21)34-17-16-19-6-4-5-7-24(19)27(25)34/h4-17,25-28H,2-3,18H2,1H3,(H,33,36)/t25-,26+,27?,28-/m0/s1InChIKey
SEBQUPOESZCFBS-SHDBXLOZSA-NSynonyms
956816-30-1(8S8aR11aS)10(4butoxyphenyl)N(4chlorophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
956816301
CCCCOC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)NC6=CC=C(C=C6)Cl
CCCCOc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1C2c2ccccc2C=C1)C(=O)Nc1ccc(cc1)Cl
InChI=1SC31H28ClN3O4c123183923141222(131523)3530(37)2526(31(35)38)28(29(36)332110820(32)91121)34171619645724(19)27(25)34h4172528H2318H21H3(H3336)t2526+27?28m0s1
MFCD18241973
ZINC000100859901
ZINC000100859902
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