Vitas-M small molecule compound
3-(5-chloro-2-methoxyphenyl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole
Catalog ID
STK465359
SMILES C=CCn1c(SCc2cccc(c2)C(F)(F)F)nnc1c1cc(Cl)ccc1OC
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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 C20H17ClF3N3OS MW 439.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClF3N3OS/c1-3-9-27-18(16-11-15(21)7-8-17(16)28-2)25-26-19(27)29-12-13-5-4-6-14(10-13)20(22,23)24/h3-8,10-11H,1,9,12H2,2H3InChIKey
XHCZBIHZEYPDEU-UHFFFAOYSA-NSynonyms
3(5chloro2methoxyphenyl)4(prop2en1yl)5((3(trifluoromethyl)benzyl)sulfanyl)4H124triazole
3(5chloro2methoxyphenyl)4prop2enyl5((3(trifluoromethyl)phenyl)methylsulfanyl)124triazole
4CHLORO1METHOXY2(4PROP2ENYL5((3(TRIFLUOROMETHYL)PHENYL)METHYLTHIO)(124TRIAZOL3YL))BENZENE
COC1=C(C=C(C=C1)Cl)C2=NN=C(N2CC=C)SCC3=CC(=CC=C3)C(F)(F)F
InChI=1SC20H17ClF3N3OSc1392718(161115(21)7817(16)282)252619(27)29121354614(1013)20(2223)24h381011H1912H22H3
MFCD06761410
ZINC000019630704
ZINC19630704
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