Vitas-M small molecule compound
2-(6-bromo-5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
Catalog ID
STL294695
SMILES [O-][N+](=O)c1cc2c(=O)n(c3ccccc3C(=O)O)c(=O)c3c2c(c1Br)ccc3
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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 C19H9BrN2O6 MW 441.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H9BrN2O6/c20-16-10-5-3-6-11-15(10)12(8-14(16)22(27)28)18(24)21(17(11)23)13-7-2-1-4-9(13)19(25)26/h1-8H,(H,25,26)InChIKey
GMRLAEWMGUTTPO-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc2c(=O)n(c3ccccc3C(=O)O)c(=O)c3c2c(c1Br)ccc3
2(6bromo5nitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)benzoicacid
2(6BROMO5NITRO13DIOXOBENZO(DE)ISOQUINOLIN2YL)BENZOICACID
C1=CC=C(C(=C1)C(=O)O)N2C(=O)C3=CC=CC4=C3C(=CC(=C4Br)(N+)(=O)(O))C2=O
InChI=1SC19H9BrN2O6c2016105361115(10)12(814(16)22(27)28)18(24)21(17(11)23)1372149(13)19(25)26h18H(H2526)
MFCD00660058
ZINC000001433763
ZINC1433763
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