Vitas-M small molecule compound
(6aS,6bR,9aS,10R)-8-(4-methoxyphenyl)-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
STK553255
SMILES COc1ccc(cc1)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 C28H22N4O6 MW 510.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O6/c1-38-20-13-11-18(12-14-20)30-27(34)23-22-15-6-16-4-2-3-5-21(16)31(22)25(24(23)28(30)35)26(33)29-17-7-9-19(10-8-17)32(36)37/h2-15,22-25H,1H3,(H,29,33)/t22-,23-,24-,25+/m0/s1InChIKey
NWGOBZXOXZNIAE-OJJQZRKESA-NSynonyms
1014081-74-3(6aS6bR9aS10R)8(4methoxyphenyl)N(4nitrophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxamide
1014081743
COC1=CC=C(C=C1)N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)NC6=CC=C(C=C6)(N+)(=O)(O)
COc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1(C@H)2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC28H22N4O6c13820131118(121420)3027(34)232215616423521(16)31(22)25(24(23)28(30)35)26(33)29177919(10817)32(36)37h2152225H1H3(H2933)t22232425+m0s1
MFCD18242706
ZINC000100957943
ZINC100957943
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.