Vitas-M small molecule compound
2-[(2,4-dimethylphenyl)amino]-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STK750459
SMILES Cc1ccc(c(c1)C)Nn1c(=O)c2ccc(c3c2c(c1=O)ccc3[N+](=O)[O-])[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 C20H14N4O6 MW 406.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N4O6/c1-10-3-6-14(11(2)9-10)21-22-19(25)12-4-7-15(23(27)28)18-16(24(29)30)8-5-13(17(12)18)20(22)26/h3-9,21H,1-2H3InChIKey
GHVNCQLINAJHSB-UHFFFAOYSA-NSynonyms
2((24dimethylphenyl)amino)67dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(24DIMETHYLANILINO)67DINITROBENZO(DE)ISOQUINOLINE13DIONE
CC1=CC(=C(C=C1)NN2C(=O)C3=C4C(=CC=C(C4=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C2=O)C
Cc1ccc(c(c1)C)Nn1c(=O)c2ccc(c3c2c(c1=O)ccc3(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC20H14N4O6c1103614(11(2)910)212219(25)124715(23(27)28)1816(24(29)30)8513(17(12)18)20(22)26h3921H12H3
MFCD00660002
ZINC000003044961
ZINC03044961
ZINC3044961
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