Vitas-M small molecule compound
4-(2-chlorophenyl)-2-(ethylsulfanyl)-6-hydroxy-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK891214
SMILES CCSC1=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 C20H16ClF3N2O2S2 MW 472.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClF3N2O2S2/c1-2-29-18-12(10-25)15(11-6-3-4-7-13(11)21)16(17(27)14-8-5-9-30-14)19(28,26-18)20(22,23)24/h3-9,15-16,26,28H,2H2,1H3InChIKey
HFKBYHDNFZKCMU-UHFFFAOYSA-NSynonyms
4(2chlorophenyl)2(ethylsulfanyl)6hydroxy5(thiophen2ylcarbonyl)6(trifluoromethyl)1456tetrahydropyridine3carbonitrile
4(2chlorophenyl)6ethylsulfanyl2hydroxy3(thiophene2carbonyl)2(trifluoromethyl)34dihydro1Hpyridine5carbonitrile
CCSC1=C(C(C(C(N1)(C(F)(F)F)O)C(=O)C2=CC=CS2)C3=CC=CC=C3Cl)C#N
InChI=1SC20H16ClF3N2O2S2c12291812(1025)15(11634713(11)21)16(17(27)148593014)19(282618)20(2223)24h3915162628H2H21H3
MFCD01819545
ZINC000019866743
ZINC000033927753
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