Vitas-M small molecule compound
(6aR,6bS,9aR,10S)-8-(4-bromophenyl)-N-(4-chlorophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Catalog ID
STK541767
SMILES Clc1ccc(cc1)NC(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)Br)C=Cc1c2cccc1
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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 C27H19BrClN3O3 MW 548.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19BrClN3O3/c28-16-6-12-19(13-7-16)31-26(34)22-21-14-5-15-3-1-2-4-20(15)32(21)24(23(22)27(31)35)25(33)30-18-10-8-17(29)9-11-18/h1-14,21-24H,(H,30,33)/t21-,22-,23-,24+/m1/s1InChIKey
SZWVDSPPZZHCBW-YCAMKHIRSA-NSynonyms
956746-64-8(6aR6bS9aR10S)8(4bromophenyl)N(4chlorophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxamide
956746648
C1=CC=C2C(=C1)C=CC3N2C(C4C3C(=O)N(C4=O)C5=CC=C(C=C5)Br)C(=O)NC6=CC=C(C=C6)Cl
Clc1ccc(cc1)NC(=O)(C@H)1N2(C@@H)((C@@H)3(C@H)1C(=O)N(C3=O)c1ccc(cc1)Br)C=Cc1c2cccc1
InChI=1SC27H19BrClN3O3c281661219(13716)3126(34)222114515312420(15)32(21)24(23(22)27(31)35)25(33)301810817(29)91118h1142124H(H3033)t21222324+m1s1
MFCD18241934
ZINC000100842831
ZINC100842831
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