Vitas-M small molecule compound
(2E)-3-[2-bromo-4-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)-5-methoxyphenyl]prop-2-enoic acid
Catalog ID
STK398148
SMILES CCOC(=O)c1ccc(cc1)NC(=O)COc1cc(Br)c(cc1OC)/C=C/C(=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 C21H20BrNO7 MW 478.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrNO7/c1-3-29-21(27)13-4-7-15(8-5-13)23-19(24)12-30-18-11-16(22)14(6-9-20(25)26)10-17(18)28-2/h4-11H,3,12H2,1-2H3,(H,23,24)(H,25,26)/b9-6+InChIKey
ODWPSVKXTRVLLW-RMKNXTFCSA-NSynonyms
1076196-73-0(2E)3(2bromo4(2((4(ethoxycarbonyl)phenyl)amino)2oxoethoxy)5methoxyphenyl)prop2enoicacid
(E)3(2bromo4(2(4ethoxycarbonylanilino)2oxoethoxy)5methoxyphenyl)prop2enoicacid
1076196730
CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C(=C2)Br)C=CC(=O)O)OC
CCOC(=O)c1ccc(cc1)NC(=O)COc1cc(Br)c(cc1OC)C=CC(=O)O
InChI=1SC21H20BrNO7c132921(27)134715(8513)2319(24)1230181116(22)14(6920(25)26)1017(18)282h411H312H212H3(H2324)(H2526)b96+
MFCD02256949
ZINC000022077330
ZINC22077330
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