Vitas-M small molecule compound

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

Catalog ID
STK750463
SMILES Cc1cccc(c1)n1c(=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 C19H11N3O6 MW 377.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H11N3O6/c1-10-3-2-4-12(5-10)20-18(23)15-8-13(21(25)26)6-11-7-14(22(27)28)9-16(17(11)15)19(20)24/h2-9H,1H3
InChIKey
IHCTVPQFTSLNDC-UHFFFAOYSA-N
Synonyms

2(3methylphenyl)58dinitro1Hbenzo(de)isoquinoline13(2H)dione
2(3METHYLPHENYL)58DINITROBENZO(DE)ISOQUINOLINE13DIONE
58DINITRO2MTOLYLBENZO(DE)ISOQUINOLINE13DIONE
CC1=CC(=CC=C1)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)(N+)(=O)(O))(N+)(=O)(O)
Cc1cccc(c1)n1c(=O)c2cc(cc3c2c(c1=O)cc(c3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC19H11N3O6c11032412(510)2018(23)15813(21(25)26)611714(22(27)28)916(17(11)15)19(20)24h29H1H3
MFCD00349161
ZINC000003158528
ZINC03158528
ZINC3158528

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Available files

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