Vitas-M small molecule compound
(8S,8aR,11aS)-10-(4-acetylphenyl)-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
STK542663
SMILES Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C)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 C29H22ClN3O4 MW 511.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22ClN3O4/c1-16(34)17-6-12-21(13-7-17)33-28(36)23-24(29(33)37)26(27(35)31-20-10-8-19(30)9-11-20)32-15-14-18-4-2-3-5-22(18)25(23)32/h2-15,23-26H,1H3,(H,31,35)/t23-,24+,25?,26-/m0/s1InChIKey
HSLQSUSSRCHAPT-HLMSNRGBSA-NSynonyms
1014059-14-3(8S8aR11aS)10(4acetylphenyl)N(4chlorophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
1014059143
CC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)NC6=CC=C(C=C6)Cl
Clc1ccc(cc1)NC(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(cc1)C(=O)C)cccc3
InChI=1SC29H22ClN3O4c116(34)1761221(13717)3328(36)2324(29(33)37)26(27(35)312010819(30)91120)32151418423522(18)25(23)32h2152326H1H3(H3135)t2324+25?26m0s1
MFCD18242012
ZINC000016037997
ZINC000036006929
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