Vitas-M small molecule compound
4-[(4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid
Catalog ID
STK186493
SMILES CCOc1cccc(c1)NC(=O)/C(=C\c1ccc(c(c1)OC)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 C27H24N2O6 MW 472.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O6/c1-3-34-23-6-4-5-22(15-23)29-26(30)21(16-28)13-19-9-12-24(25(14-19)33-2)35-17-18-7-10-20(11-8-18)27(31)32/h4-15H,3,17H2,1-2H3,(H,29,30)(H,31,32)/b21-13-InChIKey
FWCAGSLOEZSLJN-BKUYFWCQSA-NSynonyms
4((4((1Z)2CYANO3((3ETHOXYPHENYL)AMINO)3OXOPROP1EN1YL)2METHOXYPHENOXY)METHYL)BENZOICACID
4((4((Z)2CYANO3(3ETHOXYANILINO)3OXOPROP1ENYL)2METHOXYPHENOXY)METHYL)BENZOICACID
CCOC1=CC=CC(=C1)NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)OC)C#N
CCOc1cccc(c1)NC(=O)C(=Cc1ccc(c(c1)OC)OCc1ccc(cc1)C(=O)O)C#N
InChI=1SC27H24N2O6c13342364522(1523)2926(30)21(1628)131991224(25(1419)332)35171871020(11818)27(31)32h415H317H212H3(H2930)(H3132)b2113
MFCD02052217
ZINC000006573648
ZINC6573648
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