Vitas-M small molecule compound

2-[methyl(phenyl)amino]-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STK750462
SMILES CN(n1c(=O)c2ccc(c3c2c(c1=O)ccc3[N+](=O)[O-])[N+](=O)[O-])c1ccccc1

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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(11-5-3-2-4-6-11)21-18(24)12-7-9-14(22(26)27)17-15(23(28)29)10-8-13(16(12)17)19(21)25/h2-10H,1H3
InChIKey
STVURAOXUCUPKX-UHFFFAOYSA-N
Synonyms

2(methyl(phenyl)amino)67dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(NMETHYLANILINO)67DINITROBENZO(DE)ISOQUINOLINE13DIONE
CN(C1=CC=CC=C1)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C2=O
CN(n1c(=O)c2ccc(c3c2c(c1=O)ccc3(N+)(=O)(O))(N+)(=O)(O))c1ccccc1
InChI=1SC19H12N4O6c120(115324611)2118(24)127914(22(26)27)1715(23(28)29)10813(16(12)17)19(21)25h210H1H3
MFCD00336511
ZINC000003154362
ZINC03154362
ZINC3154362

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Available files

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