Vitas-M small molecule compound

methyl {[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

Catalog ID
STK839566
SMILES COC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccccc1F

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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 C15H13FN2O3S MW 320.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13FN2O3S/c1-21-14(20)8-22-15-11(7-17)10(6-13(19)18-15)9-4-2-3-5-12(9)16/h2-5,10H,6,8H2,1H3,(H,18,19)
InChIKey
YWKGQUCMKBJBFE-UHFFFAOYSA-N
Synonyms
384356-73-4
384356734
COC(=O)CSC1=C(C(CC(=O)N1)C2=CC=CC=C2F)C#N
InChI=1SC15H13FN2O3Sc12114(20)8221511(717)10(613(19)1815)9423512(9)16h2510H68H21H3(H1819)
methyl((3cyano4(2fluorophenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
methyl2((3cyano4(2fluorophenyl)6oxo1456tetrahydropyridin2yl)thio)acetate
METHYL2((5CYANO4(2FLUOROPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
MFCD03000911
ZINC000008970257
ZINC000008972734

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.