Vitas-M small molecule compound
ethyl 5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK826368
SMILES CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1F)C#N)SCC(=O)NC1CCCCC1
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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 C23H26FN3O4S MW 459.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26FN3O4S/c1-2-31-23(30)20-19(15-10-6-7-11-17(15)24)16(12-25)22(27-21(20)29)32-13-18(28)26-14-8-4-3-5-9-14/h6-7,10-11,14,19-20H,2-5,8-9,13H2,1H3,(H,26,28)(H,27,29)InChIKey
HIMQGPLTRPCTDE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2CCCCC2)C#N)C3=CC=CC=C3F
ethyl5cyano6((2(cyclohexylamino)2oxoethyl)sulfanyl)4(2fluorophenyl)2oxo1234tetrahydropyridine3carboxylate
ETHYL5CYANO6(2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL4(2FLUOROPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
InChI=1SC23H26FN3O4Sc123123(30)2019(1510671117(15)24)16(1225)22(2721(20)29)321318(28)26148435914h671011141920H258913H21H3(H2628)(H2729)
MFCD03723815
ZINC000012250116
ZINC000012250119
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