Vitas-M small molecule compound

2-[methyl(phenyl)amino]-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STL294646
SMILES [O-][N+](=O)c1cc2cc(cc3c2c(c1)c(=O)n(c3=O)N(c1ccccc1)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 C19H12N4O6 MW 392.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12N4O6/c1-20(12-5-3-2-4-6-12)21-18(24)15-9-13(22(26)27)7-11-8-14(23(28)29)10-16(17(11)15)19(21)25/h2-10H,1H3
InChIKey
DJIRPCGUGADSLD-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc2cc(cc3c2c(c1)c(=O)n(c3=O)N(c1ccccc1)C)(N+)(=O)(O)
2(methyl(phenyl)amino)58dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(Nmethylanilino)58dinitrobenzo(de)isoquinoline13dione
CN(C1=CC=CC=C1)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC19H12N4O6c120(125324612)2118(24)15913(22(26)27)711814(23(28)29)1016(17(11)15)19(21)25h210H1H3
MFCD00660027
ZINC000095470750
ZINC95470750

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Available files

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