Vitas-M small molecule compound
4-({4-[(E)-{2-[(4-cyano-2-fluorophenyl)carbonyl]hydrazinylidene}methyl]-2-ethoxy-6-(prop-2-en-1-yl)phenoxy}methyl)benzoic acid
Catalog ID
STK198370
SMILES CCOc1cc(/C=N/NC(=O)c2ccc(cc2F)C#N)cc(c1OCc1ccc(cc1)C(=O)O)CC=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 C28H24FN3O5 MW 501.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24FN3O5/c1-3-5-22-12-20(16-31-32-27(33)23-11-8-19(15-30)13-24(23)29)14-25(36-4-2)26(22)37-17-18-6-9-21(10-7-18)28(34)35/h3,6-14,16H,1,4-5,17H2,2H3,(H,32,33)(H,34,35)/b31-16+InChIKey
YQMYUFHZGFDTOF-WCMJOSRZSA-NSynonyms
4((4((E)((4cyano2fluorobenzoyl)hydrazinylidene)methyl)2ethoxy6prop2enylphenoxy)methyl)benzoicacid
4((4((E)(2((4CYANO2FLUOROPHENYL)CARBONYL)HYDRAZINYLIDENE)METHYL)2ETHOXY6(PROP2EN1YL)PHENOXY)METHYL)BENZOICACID
CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)C(=O)O)CC=C)C=NNC(=O)C3=C(C=C(C=C3)C#N)F
CCOc1cc(C=NNC(=O)c2ccc(cc2F)C#N)cc(c1OCc1ccc(cc1)C(=O)O)CC=C
InChI=1SC28H24FN3O5c135221220(16313227(33)2311819(1530)1324(23)29)1425(3642)26(22)3717186921(10718)28(34)35h361416H14517H22H3(H3233)(H3435)b3116+
MFCD03250579
ZINC000009323117
ZINC33914236
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