Vitas-M small molecule compound
3-(5-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-4-methylbenzoic acid
Catalog ID
STL295852
SMILES Brc1cc2cccc3c2c(c1)c(=O)n(c3=O)c1cc(ccc1C)C(=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 C20H12BrNO4 MW 410.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12BrNO4/c1-10-5-6-12(20(25)26)8-16(10)22-18(23)14-4-2-3-11-7-13(21)9-15(17(11)14)19(22)24/h2-9H,1H3,(H,25,26)InChIKey
GYAJCQFGNGJZMC-UHFFFAOYSA-NSynonyms
3(5bromo13dioxo1Hbenzo(de)isoquinolin2(3H)yl)4methylbenzoicacid
3(5bromo13dioxobenzo(de)isoquinolin2yl)4methylbenzoicacid
CC1=C(C=C(C=C1)C(=O)O)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)Br
InChI=1SC20H12BrNO4c1105612(20(25)26)816(10)2218(23)1442311713(21)915(17(11)14)19(22)24h29H1H3(H2526)
MFCD00852771
ZINC000000970568
ZINC970568
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