Vitas-M small molecule compound

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

Catalog ID
STK047072
SMILES Cc1ccc(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 C22H17F3N4S MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17F3N4S/c1-15-5-7-19(8-6-15)29-20(17-9-11-26-12-10-17)27-28-21(29)30-14-16-3-2-4-18(13-16)22(23,24)25/h2-13H,14H2,1H3
InChIKey
YRIYIYWBXUVDCX-UHFFFAOYSA-N
Synonyms
499124-84-4
4(4(4METHYLPHENYL)5(((3(TRIFLUOROMETHYL)PHENYL)METHYL)SULFANYL)4H124TRIAZOL3YL)PYRIDINE
4(4(4METHYLPHENYL)5((3(TRIFLUOROMETHYL)BENZYL)SULFANYL)4H124TRIAZOL3YL)PYRIDINE
4(4(4METHYLPHENYL)5((3(TRIFLUOROMETHYL)PHENYL)METHYLSULFANYL)124TRIAZOL3YL)PYRIDINE
4(4(ptolyl)5((3(trifluoromethyl)benzyl)thio)4H124triazol3yl)pyridine
4(4METHYLPHENYL)5(4PYRIDYL)3((3(TRIFLUOROMETHYL)PHENYL)METHYLTHIO)124TRIAZOLE
499124844
CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)C(F)(F)F)C4=CC=NC=C4
Cc1ccc(cc1)n1c(SCc2cccc(c2)C(F)(F)F)nnc1c1ccncc1
InChI=1SC22H17F3N4Sc1155719(8615)2920(1791126121017)272821(29)30141632418(1316)22(2324)25h213H14H21H3
MFCD03474355
STK047072
ZINC000001088261
ZINC01088261
ZINC1088261

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Available files

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