Vitas-M small molecule compound

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

Catalog ID
STK750455
SMILES Cc1cccc(c1)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 C19H12N4O6 MW 392.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12N4O6/c1-10-3-2-4-11(9-10)20-21-18(24)12-5-7-14(22(26)27)17-15(23(28)29)8-6-13(16(12)17)19(21)25/h2-9,20H,1H3
InChIKey
QOJWLBRYQDOTMJ-UHFFFAOYSA-N
Synonyms

2((3methylphenyl)amino)67dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(3METHYLANILINO)67DINITROBENZO(DE)ISOQUINOLINE13DIONE
CC1=CC(=CC=C1)NN2C(=O)C3=C4C(=CC=C(C4=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))C2=O
Cc1cccc(c1)Nn1c(=O)c2ccc(c3c2c(c1=O)ccc3(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC19H12N4O6c11032411(910)202118(24)125714(22(26)27)1715(23(28)29)8613(16(12)17)19(21)25h2920H1H3
MFCD00660014
ZINC000003044970
ZINC03044970
ZINC3044970

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Available files

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