Vitas-M small molecule compound
2-{[(4-methyl-3-nitrophenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK726778
SMILES O=C1c2cc(ccc2C(=O)N1CNc1ccc(c(c1)[N+](=O)[O-])C)[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 C16H12N4O6 MW 356.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N4O6/c1-9-2-3-10(6-14(9)20(25)26)17-8-18-15(21)12-5-4-11(19(23)24)7-13(12)16(18)22/h2-7,17H,8H2,1H3InChIKey
JRYSXRJFMILYNU-UHFFFAOYSA-NSynonyms
2(((4METHYL3NITROPHENYL)AMINO)METHYL)5NITRO1HISOINDOLE13(2H)DIONE
2((4METHYL3NITROANILINO)METHYL)5NITROISOINDOLE13DIONE
CC1=C(C=C(C=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC16H12N4O6c192310(614(9)20(25)26)1781815(21)125411(19(23)24)713(12)16(18)22h2717H8H21H3
MFCD00745477
O=C1c2cc(ccc2C(=O)N1CNc1ccc(c(c1)(N+)(=O)(O))C)(N+)(=O)(O)
ZINC000003090137
ZINC03090137
ZINC3090137
Check stock
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Check stock on Vitas-MAvailable files
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