Vitas-M small molecule compound
(8S,8aR,11aS)-N-(4-chlorophenyl)-9,11-dioxo-10-[2-(trifluoromethyl)phenyl]-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Catalog ID
STK543621
SMILES Clc1ccc(cc1)NC(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1C(F)(F)F)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 C28H19ClF3N3O3 MW 537.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19ClF3N3O3/c29-16-9-11-17(12-10-16)33-25(36)24-22-21(23-18-6-2-1-5-15(18)13-14-34(23)24)26(37)35(27(22)38)20-8-4-3-7-19(20)28(30,31)32/h1-14,21-24H,(H,33,36)/t21-,22+,23?,24-/m0/s1InChIKey
WIHWLQRNPNFJCA-UZLDWMDBSA-NSynonyms
956981-11-6(8S8aR11aS)N(4chlorophenyl)911dioxo10(2(trifluoromethyl)phenyl)8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
956981116
C1=CC=C2C3C4C(C(N3C=CC2=C1)C(=O)NC5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=CC=C6C(F)(F)F
Clc1ccc(cc1)NC(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccccc1C(F)(F)F)cccc3
InChI=1SC28H19ClF3N3O3c291691117(121016)3325(36)242221(2318621515(18)131434(23)24)26(37)35(27(22)38)20843719(20)28(3031)32h1142124H(H3336)t2122+23?24m0s1
MFCD18242096
ZINC000100851306
ZINC000100851310
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