Vitas-M small molecule compound

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

Catalog ID
STK551952
SMILES CCOc1ccc(cc1)n1c(nnc1c1cccnc1)SCc1cccc(c1)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 C23H19F3N4OS MW 456.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19F3N4OS/c1-2-31-20-10-8-19(9-11-20)30-21(17-6-4-12-27-14-17)28-29-22(30)32-15-16-5-3-7-18(13-16)23(24,25)26/h3-14H,2,15H2,1H3
InChIKey
PGJKUSQICRVYFD-UHFFFAOYSA-N
Synonyms
556788-82-0
3(4(4ETHOXYPHENYL)5(((3(TRIFLUOROMETHYL)PHENYL)METHYL)SULFANYL)4H124TRIAZOL3YL)PYRIDINE
3(4(4ethoxyphenyl)5((3(trifluoromethyl)benzyl)sulfanyl)4H124triazol3yl)pyridine
3(4(4ethoxyphenyl)5((3(trifluoromethyl)benzyl)thio)4H124triazol3yl)pyridine
3(4(4ETHOXYPHENYL)5((3(TRIFLUOROMETHYL)PHENYL)METHYLSULFANYL)124TRIAZOL3YL)PYRIDINE
4ETHOXY1(5(3PYRIDYL)3((3(TRIFLUOROMETHYL)PHENYL)METHYLTHIO)(124TRIAZOL4YL))BENZENE
556788820
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)C(F)(F)F)C4=CN=CC=C4
InChI=1SC23H19F3N4OSc12312010819(91120)3021(176412271417)282922(30)32151653718(1316)23(2425)26h314H215H21H3
MFCD03474837
ZINC000002232284
ZINC02232284
ZINC2232284

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Available files

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