Vitas-M small molecule compound
methyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-4-nitrobenzoate
Catalog ID
STK269065
SMILES COC(=O)c1ccc(cc1N1C(=O)C2C(C1=O)C1CC2CC1)[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 C17H16N2O6 MW 344.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O6/c1-25-17(22)11-5-4-10(19(23)24)7-12(11)18-15(20)13-8-2-3-9(6-8)14(13)16(18)21/h4-5,7-9,13-14H,2-3,6H2,1H3InChIKey
JMCRGLJKBSCDIB-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4CCC(C4)C3C2=O
COC(=O)c1ccc(cc1N1C(=O)C2C(C1=O)C1CC2CC1)(N+)(=O)(O)
InChI=1SC17H16N2O6c12517(22)115410(19(23)24)712(11)1815(20)138239(68)14(13)16(18)21h45791314H236H21H3
methyl2(13dioxooctahydro2H47methanoisoindol2yl)4nitrobenzoate
MFCD01885425
ZINC000100744281
ZINC000101889225
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