Vitas-M small molecule compound

(6aR,6bS,9aR,10S)-8-(2,4-dimethylphenyl)-N-(4-nitrophenyl)-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
STK549829
SMILES Cc1ccc(c(c1)C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

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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 C29H24N4O5 MW 508.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N4O5/c1-16-7-13-21(17(2)15-16)32-28(35)24-23-14-8-18-5-3-4-6-22(18)31(23)26(25(24)29(32)36)27(34)30-19-9-11-20(12-10-19)33(37)38/h3-15,23-26H,1-2H3,(H,30,34)/t23-,24-,25-,26+/m1/s1
InChIKey
DGPYGWKOWBDUQU-POTDNYQPSA-N
Synonyms
1013803-83-2
(6aR6bS9aR10S)8(24dimethylphenyl)N(4nitrophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxamide
1013803832
CC1=CC(=C(C=C1)N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)NC6=CC=C(C=C6)(N+)(=O)(O))C
Cc1ccc(c(c1)C)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1(C@@H)2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC29H24N4O5c11671321(17(2)1516)3228(35)242314818534622(18)31(23)26(25(24)29(32)36)27(34)301991120(121019)33(37)38h3152326H12H3(H3034)t23242526+m1s1
MFCD18242495
ZINC000009009854
ZINC09009854
ZINC9009854

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Available files

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