Vitas-M small molecule compound
3,3-dimethyl-2-oxobutyl 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Catalog ID
STK388671
SMILES O=C(c1ccc(cc1)N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])OCC(=O)C(C)(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/c1-21(2,3)16(24)11-30-20(27)12-7-9-13(10-8-12)22-18(25)14-5-4-6-15(23(28)29)17(14)19(22)26/h4-10H,11H2,1-3H3InChIKey
NZVHDOYRWCIHRZ-UHFFFAOYSA-NSynonyms
431930-16-4(33DIMETHYL2OXOBUTYL)4(4NITRO13DIOXOISOINDOL2YL)BENZOATE
33dimethyl2oxobutyl4(4nitro13dioxo13dihydro2Hisoindol2yl)benzoate
431930164
CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)(N+)(=O)(O)
InChI=1SC21H18N2O7c121(23)16(24)113020(27)127913(10812)2218(25)1454615(23(28)29)17(14)19(22)26h410H11H213H3
MFCD03037612
O=C(c1ccc(cc1)N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O))OCC(=O)C(C)(C)C
ZINC000001166529
ZINC01166529
ZINC1166529
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