Vitas-M small molecule compound
ethyl (2R,3R,4R)-5-cyano-6-[(4-fluorobenzyl)sulfanyl]-2-hydroxy-2-methyl-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK672618
SMILES CCOC(=O)[C@@H]1[C@@H](c2cccs2)C(=C(N[C@]1(C)O)SCc1ccc(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 C21H21FN2O3S2 MW 432.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN2O3S2/c1-3-27-20(25)18-17(16-5-4-10-28-16)15(11-23)19(24-21(18,2)26)29-12-13-6-8-14(22)9-7-13/h4-10,17-18,24,26H,3,12H2,1-2H3/t17-,18+,21-/m1/s1InChIKey
OPQPKFUHWQRRKY-LVCYWYKZSA-NSynonyms
CCOC(=O)(C@@H)1(C@@H)(c2cccs2)C(=C(N(C@)1(C)O)SCc1ccc(cc1)F)C#N
CCOC(=O)C1C(C(=C(NC1(C)O)SCC2=CC=C(C=C2)F)C#N)C3=CC=CS3
ethyl(2R3R4R)5cyano6((4fluorobenzyl)sulfanyl)2hydroxy2methyl4(thiophen2yl)1234tetrahydropyridine3carboxylate
ETHYL(2R3R4R)5CYANO6((4FLUOROPHENYL)METHYLSULFANYL)2HYDROXY2METHYL4THIOPHEN2YL34DIHYDRO1HPYRIDINE3CARBOXYLATE
InChI=1SC21H21FN2O3S2c132720(25)1817(1654102816)15(1123)19(2421(182)26)2912136814(22)9713h41017182426H312H212H3t1718+21m1s1
MFCD18246846
ZINC000020808146
ZINC20808146
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