Vitas-M small molecule compound
4-(6-bromo-5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
Catalog ID
STL294700
SMILES OC(=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 C19H9BrN2O6 MW 441.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H9BrN2O6/c20-16-11-2-1-3-12-15(11)13(8-14(16)22(27)28)18(24)21(17(12)23)10-6-4-9(5-7-10)19(25)26/h1-8H,(H,25,26)InChIKey
ABEATHSMYWEUAV-UHFFFAOYSA-NSynonyms
4(6bromo5nitro13dioxo1Hbenzo(de)isoquinolin2(3H)yl)benzoicacid
4(6bromo5nitro13dioxobenzo(de)isoquinolin2yl)benzoicacid
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2Br)(N+)(=O)(O))C4=CC=C(C=C4)C(=O)O
InChI=1SC19H9BrN2O6c2016112131215(11)13(814(16)22(27)28)18(24)21(17(12)23)10649(5710)19(25)26h18H(H2526)
MFCD00607478
OC(=O)c1ccc(cc1)n1c(=O)c2cccc3c2c(c1=O)cc(c3Br)(N+)(=O)(O)
ZINC000095470786
ZINC95470786
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