Vitas-M small molecule compound
2-[(3-methylphenyl)amino]-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294675
SMILES Cc1cccc(c1)Nn1c(=O)c2cc(cc3c2c(c1=O)cc(c3)[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 C19H12N4O6 MW 392.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12N4O6/c1-10-3-2-4-12(5-10)20-21-18(24)15-8-13(22(26)27)6-11-7-14(23(28)29)9-16(17(11)15)19(21)25/h2-9,20H,1H3InChIKey
LDJDJQVJGFPTLH-UHFFFAOYSA-NSynonyms
2((3methylphenyl)amino)58dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(3METHYLANILINO)58DINITROBENZO(DE)ISOQUINOLINE13DIONE
58BISNITRO2(3TOLUIDINO)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
58DINITRO2MTOLYLAMINOBENZO(DE)ISOQUINOLINE13DIONE
CC1=CC(=CC=C1)NN2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)(N+)(=O)(O))(N+)(=O)(O)
Cc1cccc(c1)Nn1c(=O)c2cc(cc3c2c(c1=O)cc(c3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC19H12N4O6c11032412(510)202118(24)15813(22(26)27)611714(23(28)29)916(17(11)15)19(21)25h2920H1H3
MFCD00660021
ZINC000002071517
ZINC02071517
ZINC2071517
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