Vitas-M small molecule compound
2-(4-{[(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
STK286801
SMILES O=C1N(c2ccc(cc2)C(=O)OCC(=O)c2ccc(cc2)OC(=O)c2ccc(cc2)[N+](=O)[O-])C(=O)C2C1C1C=CC2C1
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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/c34-25(17-7-13-24(14-8-17)42-31(38)19-5-11-23(12-6-19)33(39)40)16-41-30(37)18-3-9-22(10-4-18)32-28(35)26-20-1-2-21(15-20)27(26)29(32)36/h1-14,20-21,26-27H,15-16H2InChIKey
BUZKHMBVYWCUFL-UHFFFAOYSA-NSynonyms
2(4(((4nitrophenyl)carbonyl)oxy)phenyl)2oxoethyl4(13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OCC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC31H22N2O9c3425(1771324(14817)4231(38)1951123(12619)33(39)40)164130(37)183922(10418)3228(35)26201221(1520)27(26)29(32)36h11420212627H1516H2
MFCD03941053
O=C1N(c2ccc(cc2)C(=O)OCC(=O)c2ccc(cc2)OC(=O)c2ccc(cc2)(N+)(=O)(O))C(=O)C2C1C1C=CC2C1
ZINC000102517819
ZINC000239025582
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