Vitas-M small molecule compound
6-bromo-2-(4-methoxyphenyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294698
SMILES COc1ccc(cc1)n1c(=O)c2cccc3c2c(c1=O)cc(c3Br)[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 C19H11BrN2O5 MW 427.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H11BrN2O5/c1-27-11-7-5-10(6-8-11)21-18(23)13-4-2-3-12-16(13)14(19(21)24)9-15(17(12)20)22(25)26/h2-9H,1H3InChIKey
LICXRGZQPFDWFI-UHFFFAOYSA-NSynonyms
6bromo2(4methoxyphenyl)5nitro1Hbenzo(de)isoquinoline13(2H)dione
6bromo2(4methoxyphenyl)5nitrobenzo(de)isoquinoline13dione
COC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4Br)(N+)(=O)(O))C2=O
COc1ccc(cc1)n1c(=O)c2cccc3c2c(c1=O)cc(c3Br)(N+)(=O)(O)
InChI=1SC19H11BrN2O5c127117510(6811)2118(23)134231216(13)14(19(21)24)915(17(12)20)22(25)26h29H1H3
MFCD00607473
ZINC000095470785
ZINC95470785
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