Vitas-M small molecule compound
(2E)-3-[(3-butoxyphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Catalog ID
STK898276
SMILES CCCCOc1cccc(c1)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 C22H20FN3OS MW 393.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FN3OS/c1-2-3-11-27-20-6-4-5-19(12-20)25-14-17(13-24)22-26-21(15-28-22)16-7-9-18(23)10-8-16/h4-10,12,14-15,25H,2-3,11H2,1H3/b17-14+InChIKey
SEGSELAOJHRTKC-SAPNQHFASA-NSynonyms
(2E)3((3butoxyphenyl)amino)2(4(4fluorophenyl)13thiazol2yl)prop2enenitrile
(E)3(3BUTOXYANILINO)2(4(4FLUOROPHENYL)13THIAZOL2YL)PROP2ENENITRILE
CCCCOC1=CC=CC(=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)F
CCCCOc1cccc(c1)NC=C(c1scc(n1)c1ccc(cc1)F)C#N
InChI=1SC22H20FN3OSc12311272064519(1220)251417(1324)222621(152822)167918(23)10816h41012141525H2311H21H3b1714+
MFCD18172894
ZINC000004063735
ZINC04063735
ZINC4063735
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