Vitas-M small molecule compound
2-{[(2E)-2-cyano-3-{2-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoic acid
Catalog ID
STK070934
SMILES N#C/C(=C\c1cccc(c1OCc1ccc(cc1)F)OC)/C(=O)Nc1ccccc1C(=O)O
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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 C25H19FN2O5 MW 446.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19FN2O5/c1-32-22-8-4-5-17(23(22)33-15-16-9-11-19(26)12-10-16)13-18(14-27)24(29)28-21-7-3-2-6-20(21)25(30)31/h2-13H,15H2,1H3,(H,28,29)(H,30,31)/b18-13+InChIKey
ABSLGYABRCLSOA-QGOAFFKASA-NSynonyms
2(((2E)2CYANO3(2((4FLUOROBENZYL)OXY)3METHOXYPHENYL)PROP2ENOYL)AMINO)BENZOICACID
2(((E)2CYANO3(2((4FLUOROPHENYL)METHOXY)3METHOXYPHENYL)PROP2ENOYL)AMINO)BENZOICACID
COC1=CC=CC(=C1OCC2=CC=C(C=C2)F)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)O
InChI=1SC25H19FN2O5c1322284517(23(22)33151691119(26)121016)1318(1427)24(29)2821732620(21)25(30)31h213H15H21H3(H2829)(H3031)b1813+
MFCD02902093
N#CC(=Cc1cccc(c1OCc1ccc(cc1)F)OC)C(=O)Nc1ccccc1C(=O)O
STK070934
ZINC000009635675
ZINC9635675
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