Vitas-M small molecule compound
2-(3,4-dimethylphenyl)-2-oxoethyl 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
Catalog ID
STK274687
SMILES O=C(C(N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])C)OCC(=O)c1ccc(c(c1)C)C
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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 C21H18N2O7 MW 410.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O7/c1-11-7-8-14(9-12(11)2)17(24)10-30-21(27)13(3)22-19(25)15-5-4-6-16(23(28)29)18(15)20(22)26/h4-9,13H,10H2,1-3H3InChIKey
ODAOHTVTBBDHEC-UHFFFAOYSA-NSynonyms
(2(34DIMETHYLPHENYL)2OXOETHYL)2(4NITRO13DIOXOISOINDOL2YL)PROPANOATE
2(34dimethylphenyl)2oxoethyl2(4nitro13dioxo13dihydro2Hisoindol2yl)propanoate
CC1=C(C=C(C=C1)C(=O)COC(=O)C(C)N2C(=O)C3=C(C2=O)C(=CC=C3)(N+)(=O)(O))C
InChI=1SC21H18N2O7c1117814(912(11)2)17(24)103021(27)13(3)2219(25)1554616(23(28)29)18(15)20(22)26h4913H10H213H3
MFCD03162797
O=C(C(N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O))C)OCC(=O)c1ccc(c(c1)C)C
ZINC000006033131
ZINC000006033133
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