Vitas-M small molecule compound
(6aR,6bS,9aR,10S)-8-(2-methyl-5-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
STK550112
SMILES O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1C)[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/c1-15-6-10-19(33(39)40)14-22(15)31-27(35)23-21-13-7-16-4-2-3-5-20(16)30(21)25(24(23)28(31)36)26(34)29-17-8-11-18(12-9-17)32(37)38/h2-14,21,23-25H,1H3,(H,29,34)/t21-,23-,24-,25+/m1/s1InChIKey
HMAUMKVUAWWLKY-DFXJHMEVSA-NSynonyms
1014081-59-4(6aR6bS9aR10S)8(2methyl5nitrophenyl)N(4nitrophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxamide
1014081594
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)NC6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC28H21N5O7c11561019(33(39)40)1422(15)3127(35)232113716423520(16)30(21)25(24(23)28(31)36)26(34)291781118(12917)32(37)38h214212325H1H3(H2934)t21232425+m1s1
MFCD18242508
O=C((C@H)1N2c3ccccc3C=C(C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1cc(ccc1C)(N+)(=O)(O))Nc1ccc(cc1)(N+)(=O)(O)
ZINC000100957589
ZINC100957589
Check stock
See real-time availability and sample size for STK550112 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.