Vitas-M small molecule compound
2-(2-{[(4-nitrophenyl)carbonyl]oxy}phenyl)-2-oxoethyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Catalog ID
STK290076
SMILES O=C(c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C=C1)OCC(=O)c1ccccc1OC(=O)c1ccc(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 C31H22N2O9 MW 566.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22N2O9/c34-24(23-3-1-2-4-25(23)42-31(38)18-9-13-22(14-10-18)33(39)40)16-41-30(37)17-7-11-21(12-8-17)32-28(35)26-19-5-6-20(15-19)27(26)29(32)36/h1-14,19-20,26-27H,15-16H2InChIKey
JPUGPPNVVZBAHA-UHFFFAOYSA-NSynonyms
2(2(((4nitrophenyl)carbonyl)oxy)phenyl)2oxoethyl4(13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OCC(=O)C5=CC=CC=C5OC(=O)C6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC31H22N2O9c3424(23312425(23)4231(38)1891322(141018)33(39)40)164130(37)1771121(12817)3228(35)26195620(1519)27(26)29(32)36h11419202627H1516H2
MFCD03900984
O=C(c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C=C1)OCC(=O)c1ccccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000102513218
ZINC000102660390
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