Vitas-M small molecule compound
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate
Catalog ID
STK269520
SMILES O=C(OCC(=O)c1ccc(c(c1)[N+](=O)[O-])C)CCN1C(=O)C2C(C1=O)C1CC2CC1
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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 C21H22N2O7 MW 414.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O7/c1-11-2-3-12(9-15(11)23(28)29)16(24)10-30-17(25)6-7-22-20(26)18-13-4-5-14(8-13)19(18)21(22)27/h2-3,9,13-14,18-19H,4-8,10H2,1H3InChIKey
RWBCCWNGHNUCIL-UHFFFAOYSA-NSynonyms
2(4methyl3nitrophenyl)2oxoethyl3(13dioxooctahydro2H47methanoisoindol2yl)propanoate
CC1=C(C=C(C=C1)C(=O)COC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O)(N+)(=O)(O)
InChI=1SC21H22N2O7c1112312(915(11)23(28)29)16(24)103017(25)672220(26)18134514(813)19(18)21(22)27h23913141819H4810H21H3
MFCD02318543
O=C(OCC(=O)c1ccc(c(c1)(N+)(=O)(O))C)CCN1C(=O)C2C(C1=O)C1CC2CC1
ZINC000100786048
ZINC000101669845
Check stock
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Check stock on Vitas-MAvailable files
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