Vitas-M small molecule compound
(2E)-3-(2,3-dibromo-5-ethoxy-4-{2-[(2-methylphenyl)amino]-2-oxoethoxy}phenyl)prop-2-enoic acid
Catalog ID
STK398200
SMILES CCOc1cc(/C=C/C(=O)O)c(c(c1OCC(=O)Nc1ccccc1C)Br)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 C20H19Br2NO5 MW 513.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19Br2NO5/c1-3-27-15-10-13(8-9-17(25)26)18(21)19(22)20(15)28-11-16(24)23-14-7-5-4-6-12(14)2/h4-10H,3,11H2,1-2H3,(H,23,24)(H,25,26)/b9-8+InChIKey
MROSPBXETQXMOM-CMDGGOBGSA-NSynonyms
1076196-85-4(2E)3(23dibromo5ethoxy4(2((2methylphenyl)amino)2oxoethoxy)phenyl)prop2enoicacid
(E)3(23dibromo5ethoxy4(2(2methylanilino)2oxoethoxy)phenyl)prop2enoicacid
1076196854
CCOC1=C(C(=C(C(=C1)C=CC(=O)O)Br)Br)OCC(=O)NC2=CC=CC=C2C
CCOc1cc(C=CC(=O)O)c(c(c1OCC(=O)Nc1ccccc1C)Br)Br
InChI=1SC20H19Br2NO5c1327151013(8917(25)26)18(21)19(22)20(15)281116(24)2314754612(14)2h410H311H212H3(H2324)(H2526)b98+
MFCD02257111
ZINC000022077355
ZINC22077355
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