Vitas-M small molecule compound
3-(2-phenylethyl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole
Catalog ID
STK472490
SMILES C=CCn1c(nnc1CCc1ccccc1)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 C21H20F3N3S MW 403.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F3N3S/c1-2-13-27-19(12-11-16-7-4-3-5-8-16)25-26-20(27)28-15-17-9-6-10-18(14-17)21(22,23)24/h2-10,14H,1,11-13,15H2InChIKey
XHLXMELNRNYDSJ-UHFFFAOYSA-NSynonyms
3(2phenylethyl)4(prop2en1yl)5((3(trifluoromethyl)benzyl)sulfanyl)4H124triazole
3(2phenylethyl)4prop2enyl5((3(trifluoromethyl)phenyl)methylsulfanyl)124triazole
3(2PHENYLETHYL)4PROP2ENYL5((3(TRIFLUOROMETHYL)PHENYL)METHYLTHIO)124TRIAZOLE
C=CCN1C(=NN=C1SCC2=CC(=CC=C2)C(F)(F)F)CCC3=CC=CC=C3
InChI=1SC21H20F3N3Sc12132719(1211167435816)252620(27)281517961018(1417)21(2223)24h21014H1111315H2
MFCD07058251
ZINC000017082656
ZINC17082656
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