Vitas-M small molecule compound
4-[(4-{(1E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoic acid
Catalog ID
STK185196
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCc1ccc(cc1)C(=O)O)/C(=O)Nc1ccc(cc1)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 C26H22N2O5 MW 442.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O5/c1-17-3-10-22(11-4-17)28-25(29)21(15-27)13-19-7-12-23(24(14-19)32-2)33-16-18-5-8-20(9-6-18)26(30)31/h3-14H,16H2,1-2H3,(H,28,29)(H,30,31)/b21-13+InChIKey
HSAARHKTHWEWCV-FYJGNVAPSA-NSynonyms
4((4((1E)2CYANO2(N(4METHYLPHENYL)CARBAMOYL)VINYL)2METHOXYPHENOXY)METHYL)BENZOICACID
4((4((1E)2CYANO3((4METHYLPHENYL)AMINO)3OXOPROP1EN1YL)2METHOXYPHENOXY)METHYL)BENZOICACID
4((4((E)2CYANO3(4METHYLANILINO)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
InChI=1SC26H22N2O5c11731022(11417)2825(29)21(1527)131971223(24(1419)322)3316185820(9618)26(30)31h314H16H212H3(H2829)(H3031)b2113+
MFCD03158579
N#CC(=Cc1ccc(c(c1)OC)OCc1ccc(cc1)C(=O)O)C(=O)Nc1ccc(cc1)C
ZINC000008780966
ZINC8780966
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