Vitas-M small molecule compound
6-bromo-2-(2,6-dimethylphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294745
SMILES Cc1cccc(c1n1c(=O)c2cc([N+](=O)[O-])c(c3c2c(c1=O)ccc3)Br)C
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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/c1-10-5-3-6-11(2)18(10)22-19(24)13-8-4-7-12-16(13)14(20(22)25)9-15(17(12)21)23(26)27/h3-9H,1-2H3InChIKey
IYKLEPWNZGOEGZ-UHFFFAOYSA-NSynonyms
6bromo2(26dimethylphenyl)5nitro1Hbenzo(de)isoquinoline13(2H)dione
6bromo2(26dimethylphenyl)5nitrobenzo(de)isoquinoline13dione
CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC4=C3C(=CC(=C4Br)(N+)(=O)(O))C2=O
Cc1cccc(c1n1c(=O)c2cc((N+)(=O)(O))c(c3c2c(c1=O)ccc3)Br)C
InChI=1SC20H13BrN2O4c11053611(2)18(10)2219(24)138471216(13)14(20(22)25)915(17(12)21)23(26)27h39H12H3
MFCD00607499
ZINC000095470825
ZINC95470825
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