Vitas-M small molecule compound
4-[(5-bromo-4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid
Catalog ID
STK186402
SMILES N#C/C(=C/c1cc(OC)c(cc1Br)OCc1ccc(cc1)C(=O)O)/C(=O)Nc1ccc(cc1)Cl
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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 C25H18BrClN2O5 MW 541.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18BrClN2O5/c1-33-22-11-17(10-18(13-28)24(30)29-20-8-6-19(27)7-9-20)21(26)12-23(22)34-14-15-2-4-16(5-3-15)25(31)32/h2-12H,14H2,1H3,(H,29,30)(H,31,32)/b18-10-InChIKey
MIBCBESNHBRJSQ-ZDLGFXPLSA-NSynonyms
5911-45-54((5BROMO4((1Z)3((4CHLOROPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)2METHOXYPHENOXY)METHYL)BENZOICACID
4((5BROMO4((Z)3(4CHLOROANILINO)2CYANO3OXOPROP1ENYL)2METHOXYPHENOXY)METHYL)BENZOICACID
5911455
COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)Br)OCC3=CC=C(C=C3)C(=O)O
InChI=1SC25H18BrClN2O5c133221117(1018(1328)24(30)29208619(27)7920)21(26)1223(22)3414152416(5315)25(31)32h212H14H21H3(H2930)(H3132)b1810
MFCD02052285
N#CC(=Cc1cc(OC)c(cc1Br)OCc1ccc(cc1)C(=O)O)C(=O)Nc1ccc(cc1)Cl
ZINC000059706526
ZINC59706526
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