Vitas-M small molecule compound

(6aS,6bR,9aS,10R)-N-(2,5-dimethoxyphenyl)-8-(3-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
STK556347
SMILES COc1ccc(c(c1)NC(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)[N+](=O)[O-])C=Cc1c2cccc1)OC

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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 C29H24N4O7 MW 540.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N4O7/c1-39-19-11-13-23(40-2)20(15-19)30-27(34)26-25-24(22-12-10-16-6-3-4-9-21(16)32(22)26)28(35)31(29(25)36)17-7-5-8-18(14-17)33(37)38/h3-15,22,24-26H,1-2H3,(H,30,34)/t22-,24-,25-,26+/m0/s1
InChIKey
MGQMZQQGUACFSE-ZCLKUGBOSA-N
Synonyms
1013805-64-5
(6aS6bR9aS10R)N(25dimethoxyphenyl)8(3nitrophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxamide
1013805645
COC1=CC(=C(C=C1)OC)NC(=O)C2C3C(C4N2C5=CC=CC=C5C=C4)C(=O)N(C3=O)C6=CC(=CC=C6)(N+)(=O)(O)
COc1ccc(c(c1)NC(=O)(C@@H)1N2(C@H)((C@H)3(C@@H)1C(=O)N(C3=O)c1cccc(c1)(N+)(=O)(O))C=Cc1c2cccc1)OC
InChI=1SC29H24N4O7c13919111323(402)20(1519)3027(34)262524(22121016634921(16)32(22)26)28(35)31(29(25)36)1775818(1417)33(37)38h315222426H12H3(H3034)t22242526+m0s1
MFCD18242935
ZINC000100884388
ZINC100884388

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Available files

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