Vitas-M small molecule compound
2-{[(2-methylphenyl)amino]methyl}-5-nitro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK285996
SMILES O=C1c2cc(ccc2C(=O)N1CNc1ccccc1C)[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 C16H13N3O4 MW 311.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O4/c1-10-4-2-3-5-14(10)17-9-18-15(20)12-7-6-11(19(22)23)8-13(12)16(18)21/h2-8,17H,9H2,1H3InChIKey
KWAYDEAQGMSSOY-UHFFFAOYSA-NSynonyms
2(((2methylphenyl)amino)methyl)5nitro1Hisoindole13(2H)dione
2((2METHYLANILINO)METHYL)5NITROISOINDOLE13DIONE
5NITRO2(OTOLYLAMINOMETHYL)ISOINDOLE13DIONE
CC1=CC=CC=C1NCN2C(=O)C3=C(C2=O)C=C(C=C3)(N+)(=O)(O)
InChI=1SC16H13N3O4c110423514(10)1791815(20)127611(19(22)23)813(12)16(18)21h2817H9H21H3
MFCD00221866
O=C1c2cc(ccc2C(=O)N1CNc1ccccc1C)(N+)(=O)(O)
ZINC000000062101
ZINC00062101
ZINC62101
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