Vitas-M small molecule compound
4-[(E)-1-cyano-2-{3-ethoxy-4-[(3-fluorobenzyl)oxy]phenyl}ethenyl]benzoic acid
Catalog ID
STL387444
SMILES CCOc1cc(ccc1OCc1cccc(c1)F)/C=C(\c1ccc(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 C25H20FNO4 MW 417.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20FNO4/c1-2-30-24-14-17(6-11-23(24)31-16-18-4-3-5-22(26)13-18)12-21(15-27)19-7-9-20(10-8-19)25(28)29/h3-14H,2,16H2,1H3,(H,28,29)/b21-12-InChIKey
PXPTUHNRRWHFNO-MTJSOVHGSA-NSynonyms
4((E)1cyano2(3ethoxy4((3fluorobenzyl)oxy)phenyl)ethenyl)benzoicacid
4((E)1CYANO2(3ETHOXY4((3FLUOROPHENYL)METHOXY)PHENYL)ETHENYL)BENZOICACID
CCOC1=C(C=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)OCC3=CC(=CC=C3)F
CCOc1cc(ccc1OCc1cccc(c1)F)C=C(c1ccc(cc1)C(=O)O)C#N
InChI=1SC25H20FNO4c1230241417(61123(24)31161843522(26)1318)1221(1527)197920(10819)25(28)29h314H216H21H3(H2829)b2112
MFCD07359481
ZINC000004821137
ZINC4821137
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