Vitas-M small molecule compound
4-[(2-bromo-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)methyl]benzoic acid
Catalog ID
STK186491
SMILES CCOc1cccc(c1)NC(=O)/C(=C\c1ccc(c(c1)Br)OCc1ccc(cc1)C(=O)O)/C#N
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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 C26H21BrN2O5 MW 521.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrN2O5/c1-2-33-22-5-3-4-21(14-22)29-25(30)20(15-28)12-18-8-11-24(23(27)13-18)34-16-17-6-9-19(10-7-17)26(31)32/h3-14H,2,16H2,1H3,(H,29,30)(H,31,32)/b20-12-InChIKey
LQJXHIPIAOIOLA-NDENLUEZSA-NSynonyms
4((2BROMO4((1Z)2CYANO3((3ETHOXYPHENYL)AMINO)3OXOPROP1EN1YL)PHENOXY)METHYL)BENZOICACID
4((2bromo4((Z)2cyano3(3ethoxyanilino)3oxoprop1enyl)phenoxy)methyl)benzoicacid
CCOC1=CC=CC(=C1)NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)Br)C#N
CCOc1cccc(c1)NC(=O)C(=Cc1ccc(c(c1)Br)OCc1ccc(cc1)C(=O)O)C#N
InChI=1SC26H21BrN2O5c12332253421(1422)2925(30)20(1528)121881124(23(27)1318)3416176919(10717)26(31)32h314H216H21H3(H2930)(H3132)b2012
MFCD02194771
ZINC000097960792
ZINC97960792
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