Vitas-M small molecule compound
6-bromo-2-(2,4-dimethylphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294701
SMILES Cc1ccc(c(c1)C)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 C20H13BrN2O4 MW 425.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13BrN2O4/c1-10-6-7-15(11(2)8-10)22-19(24)13-5-3-4-12-17(13)14(20(22)25)9-16(18(12)21)23(26)27/h3-9H,1-2H3InChIKey
PAQGBFGTQAYWSX-UHFFFAOYSA-NSynonyms
6bromo2(24dimethylphenyl)5nitro1Hbenzo(de)isoquinoline13(2H)dione
6BROMO2(24DIMETHYLPHENYL)5NITROBENZO(DE)ISOQUINOLINE13DIONE
CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4Br)(N+)(=O)(O))C2=O)C
Cc1ccc(c(c1)C)n1c(=O)c2cc((N+)(=O)(O))c(c3c2c(c1=O)ccc3)Br
InChI=1SC20H13BrN2O4c1106715(11(2)810)2219(24)135341217(13)14(20(22)25)916(18(12)21)23(26)27h39H12H3
MFCD00607496
ZINC000003206794
ZINC3206794
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