Vitas-M small molecule compound
N-[(E)-{3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl}methylidene]-3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STK306929
SMILES COc1ccc(cc1COc1ccc(cc1C)Cl)/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/c1-12-8-15(21)5-7-16(12)29-11-14-9-13(4-6-17(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
ZCZOZYNSSCNCJS-YSURURNPSA-NSynonyms
828286-22-2(E)1(3((4chloro2methylphenoxy)methyl)4methoxyphenyl)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)methanimine
828286222
CC1=C(C=CC(=C1)Cl)OCC2=C(C=CC(=C2)C=NN3C(=NN=C3SC)C(F)F)OC
COc1ccc(cc1COc1ccc(cc1C)Cl)C=Nn1c(SC)nnc1C(F)F
InChI=1SC20H19ClF2N4O2Sc112815(21)5716(12)291114913(4617(14)282)10242719(18(22)23)252620(27)303h41018H11H213H3b2410+
MFCD04049718
N((E)(3((4chloro2methylphenoxy)methyl)4methoxyphenyl)methylidene)3(difluoromethyl)5(methylsulfanyl)4H124triazol4amine
ZINC000002792224
ZINC2792223
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