Vitas-M small molecule compound

4-[4-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine

Catalog ID
STK844525
SMILES Clc1ccc(cc1)n1c(SCc2cccc(c2)C(F)(F)F)nnc1c1ccncc1

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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 C21H14ClF3N4S MW 446.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClF3N4S/c22-17-4-6-18(7-5-17)29-19(15-8-10-26-11-9-15)27-28-20(29)30-13-14-2-1-3-16(12-14)21(23,24)25/h1-12H,13H2
InChIKey
KANHQGXCSSLFIC-UHFFFAOYSA-N
Synonyms
613226-05-4
4(4(4CHLOROPHENYL)5(((3(TRIFLUOROMETHYL)PHENYL)METHYL)SULFANYL)4H124TRIAZOL3YL)PYRIDINE
4(4(4chlorophenyl)5((3(trifluoromethyl)benzyl)sulfanyl)4H124triazol3yl)pyridine
4(4(4chlorophenyl)5((3(trifluoromethyl)benzyl)thio)4H124triazol3yl)pyridine
4(4(4CHLOROPHENYL)5((3(TRIFLUOROMETHYL)PHENYL)METHYLSULFANYL)124TRIAZOL3YL)PYRIDINE
4(4CHLOROPHENYL)5(4PYRIDYL)3((3(TRIFLUOROMETHYL)PHENYL)METHYLTHIO)124TRIAZOLE
613226054
C1=CC(=CC(=C1)C(F)(F)F)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4
InChI=1SC21H14ClF3N4Sc22174618(7517)2919(158102611915)272820(29)30131421316(1214)21(2324)25h112H13H2
MFCD03473412
ZINC000001829105
ZINC01829105
ZINC1829105

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Available files

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