Vitas-M small molecule compound
(6aS,6bR,9aS,10R)-8-(2-methyl-4-nitrophenyl)-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
STK553095
SMILES O=C([C@@H]1N2c3ccccc3C=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[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 C28H21N5O7 MW 539.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N5O7/c1-15-14-19(33(39)40)11-13-20(15)31-27(35)23-22-12-6-16-4-2-3-5-21(16)30(22)25(24(23)28(31)36)26(34)29-17-7-9-18(10-8-17)32(37)38/h2-14,22-25H,1H3,(H,29,34)/t22-,23-,24-,25+/m0/s1InChIKey
YQCWNRLBUMQKIE-OJJQZRKESA-NSynonyms
1014061-50-7(6aS6bR9aS10R)8(2methyl4nitrophenyl)N(4nitrophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxamide
1014061507
CC1=C(C=CC(=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)NC6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC28H21N5O7c1151419(33(39)40)111320(15)3127(35)232212616423521(16)30(22)25(24(23)28(31)36)26(34)29177918(10817)32(37)38h2142225H1H3(H2934)t22232425+m0s1
MFCD18242693
O=C((C@@H)1N2c3ccccc3C=C(C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1C)(N+)(=O)(O))Nc1ccc(cc1)(N+)(=O)(O)
ZINC000100986586
ZINC100986586
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.