Vitas-M small molecule compound
2-(benzylsulfanyl)-4-(2-chlorophenyl)-6-hydroxy-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK725922
SMILES N#CC1=C(SCc2ccccc2)NC(C(C1c1ccccc1Cl)C(=O)c1cccs1)(O)C(F)(F)F
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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 C25H18ClF3N2O2S2 MW 535.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClF3N2O2S2/c26-18-10-5-4-9-16(18)20-17(13-30)23(35-14-15-7-2-1-3-8-15)31-24(33,25(27,28)29)21(20)22(32)19-11-6-12-34-19/h1-12,20-21,31,33H,14H2InChIKey
JDQCXFCAPNRVGF-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)4(2chlorophenyl)6hydroxy5(thiophen2ylcarbonyl)6(trifluoromethyl)1456tetrahydropyridine3carbonitrile
2(benzylthio)4(2chlorophenyl)6hydroxy5(thiophene2carbonyl)6(trifluoromethyl)1456tetrahydropyridine3carbonitrile
6BENZYLSULFANYL4(2CHLOROPHENYL)2HYDROXY3(THIOPHENE2CARBONYL)2(TRIFLUOROMETHYL)34DIHYDRO1HPYRIDINE5CARBONITRILE
C1=CC=C(C=C1)CSC2=C(C(C(C(N2)(C(F)(F)F)O)C(=O)C3=CC=CS3)C4=CC=CC=C4Cl)C#N
InChI=1SC25H18ClF3N2O2S2c26181054916(18)2017(1330)23(3514157213815)3124(3325(2728)29)21(20)22(32)19116123419h11220213133H14H2
MFCD02047742
ZINC000002064193
ZINC000245231710
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