Vitas-M small molecule compound

6-bromo-2-(3-methylphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STL294674
SMILES Cc1cccc(c1)n1c(=O)c2cc([N+](=O)[O-])c(c3c2c(c1=O)ccc3)Br

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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 C19H11BrN2O4 MW 411.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H11BrN2O4/c1-10-4-2-5-11(8-10)21-18(23)13-7-3-6-12-16(13)14(19(21)24)9-15(17(12)20)22(25)26/h2-9H,1H3
InChIKey
JFLPDFTWLHWYKG-UHFFFAOYSA-N
Synonyms

6bromo2(3methylphenyl)5nitro1Hbenzo(de)isoquinoline13(2H)dione
6bromo2(3methylphenyl)5nitrobenzo(de)isoquinoline13dione
CC1=CC(=CC=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4Br)(N+)(=O)(O))C2=O
Cc1cccc(c1)n1c(=O)c2cc((N+)(=O)(O))c(c3c2c(c1=O)ccc3)Br
InChI=1SC19H11BrN2O4c11042511(810)2118(23)137361216(13)14(19(21)24)915(17(12)20)22(25)26h29H1H3
MFCD00607494
ZINC000095470770
ZINC95470770

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Available files

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