Vitas-M small molecule compound
methyl {[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK661501
SMILES COC(=O)CSC1=C(C#N)C(C(C(N1)(O)C(F)(F)F)C(=O)c1cccs1)c1ccccc1Cl
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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 C21H16ClF3N2O4S2 MW 516.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClF3N2O4S2/c1-31-15(28)10-33-19-12(9-26)16(11-5-2-3-6-13(11)22)17(18(29)14-7-4-8-32-14)20(30,27-19)21(23,24)25/h2-8,16-17,27,30H,10H2,1H3InChIKey
PUZGDUSIUTYPSC-UHFFFAOYSA-NSynonyms
COC(=O)CSC1=C(C(C(C(N1)(C(F)(F)F)O)C(=O)C2=CC=CS2)C3=CC=CC=C3Cl)C#N
InChI=1SC21H16ClF3N2O4S2c13115(28)10331912(926)16(11523613(11)22)17(18(29)147483214)20(302719)21(2324)25h2816172730H10H21H3
methyl((4(2chlorophenyl)3cyano6hydroxy5(thiophen2ylcarbonyl)6(trifluoromethyl)1456tetrahydropyridin2yl)sulfanyl)acetate
METHYL2((4(2CHLOROPHENYL)5CYANO2HYDROXY3(THIOPHENE2CARBONYL)2(TRIFLUOROMETHYL)34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
MFCD01820027
ZINC000033358327
ZINC000100081706
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