Vitas-M small molecule compound
3-[(4-{(1E)-2-cyano-3-[(4-ethylphenyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)methyl]benzoic acid
Catalog ID
STK182328
SMILES N#C/C(=C\c1ccc(cc1)OCc1cccc(c1)C(=O)O)/C(=O)Nc1ccc(cc1)CC
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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 C26H22N2O4 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O4/c1-2-18-6-10-23(11-7-18)28-25(29)22(16-27)14-19-8-12-24(13-9-19)32-17-20-4-3-5-21(15-20)26(30)31/h3-15H,2,17H2,1H3,(H,28,29)(H,30,31)/b22-14+InChIKey
OCJJIGTUAIKHET-HYARGMPZSA-NSynonyms
3((4((1E)2CYANO2(N(4ETHYLPHENYL)CARBAMOYL)VINYL)PHENOXY)METHYL)BENZOICACID
3((4((1E)2CYANO3((4ETHYLPHENYL)AMINO)3OXOPROP1EN1YL)PHENOXY)METHYL)BENZOICACID
3((4((E)2CYANO3(4ETHYLANILINO)3OXOPROP1ENYL)PHENOXY)METHYL)BENZOICACID
CCC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)O)C#N
InChI=1SC26H22N2O4c121861023(11718)2825(29)22(1627)141981224(13919)32172043521(1520)26(30)31h315H217H21H3(H2829)(H3031)b2214+
MFCD02602752
N#CC(=Cc1ccc(cc1)OCc1cccc(c1)C(=O)O)C(=O)Nc1ccc(cc1)CC
ZINC000008861399
ZINC8861399
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