Vitas-M small molecule compound
N-[(E)-{3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl}methylidene]-3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL177595
SMILES COc1ccc(cc1COc1ccc(cc1Cl)C)/C=N/n1c(SC)nnc1C(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 C20H19ClF2N4O2S MW 452.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClF2N4O2S/c1-12-4-6-17(15(21)8-12)29-11-14-9-13(5-7-16(14)28-2)10-24-27-19(18(22)23)25-26-20(27)30-3/h4-10,18H,11H2,1-3H3/b24-10+InChIKey
LUHLIMOMJCSUKG-YSURURNPSA-NSynonyms
828285-66-1(E)1(3((2chloro4methylphenoxy)methyl)4methoxyphenyl)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)methanimine
828285661
CC1=CC(=C(C=C1)OCC2=C(C=CC(=C2)C=NN3C(=NN=C3SC)C(F)F)OC)Cl
COc1ccc(cc1COc1ccc(cc1Cl)C)C=Nn1c(SC)nnc1C(F)F
InChI=1SC20H19ClF2N4O2Sc1124617(15(21)812)291114913(5716(14)282)10242719(18(22)23)252620(27)303h41018H11H213H3b2410+
MFCD04053679
N((E)(3((2chloro4methylphenoxy)methyl)4methoxyphenyl)methylidene)3(difluoromethyl)5(methylsulfanyl)4H124triazol4amine
ZINC000002792078
ZINC2792077
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