Vitas-M small molecule compound
butyl 4-({(E)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Catalog ID
STK878553
SMILES CCCCOC(=O)c1ccc(cc1)N/C=C(/c1scc(n1)c1ccc(cc1)F)\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 C23H20FN3O2S MW 421.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20FN3O2S/c1-2-3-12-29-23(28)17-6-10-20(11-7-17)26-14-18(13-25)22-27-21(15-30-22)16-4-8-19(24)9-5-16/h4-11,14-15,26H,2-3,12H2,1H3/b18-14+InChIKey
PXTXYOLPGIFFJX-NBVRZTHBSA-NSynonyms
1021231-26-41021231264
butyl4(((E)2cyano2(4(4fluorophenyl)13thiazol2yl)ethenyl)amino)benzoate
CCCCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)F
CCCCOC(=O)c1ccc(cc1)NC=C(c1scc(n1)c1ccc(cc1)F)C#N
InChI=1SC23H20FN3O2Sc123122923(28)1761020(11717)261418(1325)222721(153022)164819(24)9516h411141526H2312H21H3b1814+
MFCD11992903
ZINC000017270523
ZINC17270523
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