Vitas-M small molecule compound
2-(4-acetylphenyl)-6-bromo-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL294699
SMILES CC(=O)c1ccc(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 C20H11BrN2O5 MW 439.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H11BrN2O5/c1-10(24)11-5-7-12(8-6-11)22-19(25)14-4-2-3-13-17(14)15(20(22)26)9-16(18(13)21)23(27)28/h2-9H,1H3InChIKey
RHLSCRPQLLQQDZ-UHFFFAOYSA-NSynonyms
2(4acetylphenyl)6bromo5nitro1Hbenzo(de)isoquinoline13(2H)dione
2(4ACETYLPHENYL)6BROMO5NITROBENZO(DE)ISOQUINOLINE13DIONE
CC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4Br)(N+)(=O)(O))C2=O
CC(=O)c1ccc(cc1)n1c(=O)c2cccc3c2c(c1=O)cc(c3Br)(N+)(=O)(O)
InChI=1SC20H11BrN2O5c110(24)115712(8611)2219(25)144231317(14)15(20(22)26)916(18(13)21)23(27)28h29H1H3
MFCD00660046
ZINC000034138488
ZINC34138488
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