Vitas-M small molecule compound
(8S,8aR,11aS)-N-(4-chlorophenyl)-10-(naphthalen-1-yl)-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
STK544576
SMILES Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc2c1cccc2)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 C31H22ClN3O3 MW 519.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22ClN3O3/c32-20-12-14-21(15-13-20)33-29(36)28-26-25(27-23-10-4-2-7-19(23)16-17-34(27)28)30(37)35(31(26)38)24-11-5-8-18-6-1-3-9-22(18)24/h1-17,25-28H,(H,33,36)/t25-,26+,27?,28-/m0/s1InChIKey
PKIGYWAGCGGMGZ-SHDBXLOZSA-NSynonyms
956816-33-4(8S8aR11aS)N(4chlorophenyl)10(naphthalen1yl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
956816334
C1=CC=C2C3C4C(C(N3C=CC2=C1)C(=O)NC5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=CC7=CC=CC=C76
Clc1ccc(cc1)NC(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1cccc2c1cccc2)cccc3
InChI=1SC31H22ClN3O3c3220121421(151320)3329(36)282625(27231042719(23)161734(27)28)30(37)35(31(26)38)24115818613922(18)24h1172528H(H3336)t2526+27?28m0s1
MFCD18242161
ZINC000016037690
ZINC000100863372
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