Vitas-M small molecule compound
2-{[(4-acetylphenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK247048
SMILES CC(=O)c1ccc(cc1)NCN1C(=O)c2c(C1=O)cc(cc2)[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 C17H13N3O5 MW 339.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O5/c1-10(21)11-2-4-12(5-3-11)18-9-19-16(22)14-7-6-13(20(24)25)8-15(14)17(19)23/h2-8,18H,9H2,1H3InChIKey
WGVBDWNZTZREAU-UHFFFAOYSA-NSynonyms
301207-13-62(((4ACETYLPHENYL)AMINO)METHYL)5NITRO1HISOINDOLE13(2H)DIONE
2((4ACETYLANILINO)METHYL)5NITROISOINDOLE13DIONE
2((4ACETYLPHENYLAMINO)METHYL)5NITROISOINDOLE13DIONE
301207136
CC(=O)C1=CC=C(C=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)(N+)(=O)(O)
CC(=O)c1ccc(cc1)NCN1C(=O)c2c(C1=O)cc(cc2)(N+)(=O)(O)
InChI=1SC17H13N3O5c110(21)112412(5311)1891916(22)147613(20(24)25)815(14)17(19)23h2818H9H21H3
MFCD00175531
ZINC000000179257
ZINC00179257
ZINC179257
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