Vitas-M small molecule compound
3-[(2-bromo-6-ethoxy-4-{(E)-[1-(4-fluorobenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK165448
SMILES CCOc1cc(/C=C\2/NC(=O)N(C2=O)Cc2ccc(cc2)F)cc(c1OCc1cccc(c1)C(=O)O)Br
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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 C27H22BrFN2O6 MW 569.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22BrFN2O6/c1-2-36-23-13-18(11-21(28)24(23)37-15-17-4-3-5-19(10-17)26(33)34)12-22-25(32)31(27(35)30-22)14-16-6-8-20(29)9-7-16/h3-13H,2,14-15H2,1H3,(H,30,35)(H,33,34)/b22-12+InChIKey
IONYEQDICJCZPR-WSDLNYQXSA-NSynonyms
3((2BROMO6ETHOXY4((E)(1((4FLUOROPHENYL)METHYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
3((2BROMO6ETHOXY4((E)(1(4FLUOROBENZYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)N2)CC3=CC=C(C=C3)F)Br)OCC4=CC=CC(=C4)C(=O)O
CCOc1cc(C=C2NC(=O)N(C2=O)Cc2ccc(cc2)F)cc(c1OCc1cccc(c1)C(=O)O)Br
InChI=1SC27H22BrFN2O6c1236231318(1121(28)24(23)37151743519(1017)26(33)34)122225(32)31(27(35)3022)14166820(29)9716h313H21415H21H3(H3035)(H3334)b2212+
MFCD03696804
ZINC000097960434
ZINC97960434
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