Vitas-M small molecule compound
methyl 2-[({2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}acetyl)amino]benzoate
Catalog ID
STL074864
SMILES COC(=O)c1ccccc1NC(=O)Cn1cccc1c1onc(n1)c1ccc(c(c1)Br)F
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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 C22H16BrFN4O4 MW 499.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrFN4O4/c1-31-22(30)14-5-2-3-6-17(14)25-19(29)12-28-10-4-7-18(28)21-26-20(27-32-21)13-8-9-16(24)15(23)11-13/h2-11H,12H2,1H3,(H,25,29)InChIKey
BFBPCDQJSCDMMJ-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1NC(=O)CN2C=CC=C2C3=NC(=NO3)C4=CC(=C(C=C4)F)Br
InChI=1SC22H16BrFN4O4c13122(30)14523617(14)2519(29)1228104718(28)212620(273221)138916(24)15(23)1113h211H12H21H3(H2529)
methyl2(((2(3(3bromo4fluorophenyl)124oxadiazol5yl)1Hpyrrol1yl)acetyl)amino)benzoate
methyl2((2(2(3(3bromo4fluorophenyl)124oxadiazol5yl)pyrrol1yl)acetyl)amino)benzoate
MFCD18196224
ZINC000067207726
ZINC67207726
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