Vitas-M small molecule compound
4-[(4-{(1E)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)methyl]benzoic acid
Catalog ID
STK179103
SMILES CCOc1cc(ccc1OCc1ccc(cc1)C(=O)O)/C=C(/C(=O)Nc1ccccc1C)\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 C27H24N2O5 MW 456.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O5/c1-3-33-25-15-20(14-22(16-28)26(30)29-23-7-5-4-6-18(23)2)10-13-24(25)34-17-19-8-11-21(12-9-19)27(31)32/h4-15H,3,17H2,1-2H3,(H,29,30)(H,31,32)/b22-14+InChIKey
NTUYWWVQQRCUCC-HYARGMPZSA-NSynonyms
4((4((1E)2CYANO3((2METHYLPHENYL)AMINO)3OXOPROP1EN1YL)2ETHOXYPHENOXY)METHYL)BENZOICACID
4((4((E)2CYANO3(2METHYLANILINO)3OXOPROP1ENYL)2ETHOXYPHENOXY)METHYL)BENZOICACID
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C)OCC3=CC=C(C=C3)C(=O)O
CCOc1cc(ccc1OCc1ccc(cc1)C(=O)O)C=C(C(=O)Nc1ccccc1C)C#N
InChI=1SC27H24N2O5c1333251520(1422(1628)26(30)2923754618(23)2)101324(25)34171981121(12919)27(31)32h415H317H212H3(H2930)(H3132)b2214+
MFCD04087245
ZINC000009262660
ZINC9262660
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