Vitas-M small molecule compound
4-[(4-{(1E)-2-cyano-3-[(2,4-dimethylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid
Catalog ID
STK183601
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCc1ccc(cc1)C(=O)O)/C(=O)Nc1ccc(cc1C)C
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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 C27H24N2O5 MW 456.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O5/c1-17-4-10-23(18(2)12-17)29-26(30)22(15-28)13-20-7-11-24(25(14-20)33-3)34-16-19-5-8-21(9-6-19)27(31)32/h4-14H,16H2,1-3H3,(H,29,30)(H,31,32)/b22-13+InChIKey
WOZYBUKHXOPTNY-LPYMAVHISA-NSynonyms
4((4((1E)2CYANO3((24DIMETHYLPHENYL)AMINO)3OXOPROP1EN1YL)2METHOXYPHENOXY)METHYL)BENZOICACID
4((4((E)2CYANO3(24DIMETHYLANILINO)3OXOPROP1ENYL)2METHOXYPHENOXY)METHYL)BENZOICACID
CC1=CC(=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)OC)C#N)C
InChI=1SC27H24N2O5c11741023(18(2)1217)2926(30)22(1528)132071124(25(1420)333)3416195821(9619)27(31)32h414H16H213H3(H2930)(H3132)b2213+
MFCD02614517
N#CC(=Cc1ccc(c(c1)OC)OCc1ccc(cc1)C(=O)O)C(=O)Nc1ccc(cc1C)C
ZINC000009261799
ZINC9261799
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