Vitas-M small molecule compound
5-(6-bromo-5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-hydroxybenzoic acid
Catalog ID
STL294697
SMILES [O-][N+](=O)c1cc2c(=O)n(c3ccc(c(c3)C(=O)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 C19H9BrN2O7 MW 457.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H9BrN2O7/c20-16-9-2-1-3-10-15(9)12(7-13(16)22(28)29)18(25)21(17(10)24)8-4-5-14(23)11(6-8)19(26)27/h1-7,23H,(H,26,27)InChIKey
VEAWNFFHYKUVKB-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc2c(=O)n(c3ccc(c(c3)C(=O)O)O)c(=O)c3c2c(c1Br)ccc3
5(6bromo5nitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)2hydroxybenzoicacid
5(6bromo5nitro13dioxobenzo(de)isoquinolin2yl)2hydroxybenzoicacid
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2Br)(N+)(=O)(O))C4=CC(=C(C=C4)O)C(=O)O
InChI=1SC19H9BrN2O7c201692131015(9)12(713(16)22(28)29)18(25)21(17(10)24)84514(23)11(68)19(26)27h1723H(H2627)
MFCD00607471
ZINC000095470784
ZINC95470784
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