Vitas-M small molecule compound

ethyl 6-[(4-chlorobenzyl)sulfanyl]-5-cyano-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate

Catalog ID
STK538579
SMILES CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1F)C#N)SCc1ccc(cc1)Cl

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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 C22H18ClFN2O3S MW 444.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClFN2O3S/c1-2-29-22(28)19-18(15-5-3-4-6-17(15)24)16(11-25)21(26-20(19)27)30-12-13-7-9-14(23)10-8-13/h3-10,18-19H,2,12H2,1H3,(H,26,27)
InChIKey
XIODGRVNNHNXAB-UHFFFAOYSA-N
Synonyms
383893-65-0
383893650
CCOC(=O)C1C(C(=C(NC1=O)SCC2=CC=C(C=C2)Cl)C#N)C3=CC=CC=C3F
ethyl6((4chlorobenzyl)sulfanyl)5cyano4(2fluorophenyl)2oxo1234tetrahydropyridine3carboxylate
ethyl6((4chlorobenzyl)thio)5cyano4(2fluorophenyl)2oxo1234tetrahydropyridine3carboxylate
ETHYL6((4CHLOROPHENYL)METHYLSULFANYL)5CYANO4(2FLUOROPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
InChI=1SC22H18ClFN2O3Sc122922(28)1918(15534617(15)24)16(1125)21(2620(19)27)3012137914(23)10813h3101819H212H21H3(H2627)
MFCD03000599
ZINC000009088018
ZINC000009088771

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Available files

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