Vitas-M small molecule compound

N-{(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}-3-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine

Catalog ID
STL173471
SMILES CCSc1nncn1/N=C/c1ccc(c(c1)OC)OC(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 C13H14F2N4O2S MW 328.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14F2N4O2S/c1-3-22-13-18-16-8-19(13)17-7-9-4-5-10(21-12(14)15)11(6-9)20-2/h4-8,12H,3H2,1-2H3/b17-7+
InChIKey
DMSFZWKFZHCBGT-REZTVBANSA-N
Synonyms
866737-66-8
(E)1(4(difluoromethoxy)3methoxyphenyl)N(3ethylsulfanyl124triazol4yl)methanimine
866737668
CCSC1=NN=CN1N=CC2=CC(=C(C=C2)OC(F)F)OC
CCSc1nncn1N=Cc1ccc(c(c1)OC)OC(F)F
InChI=1SC13H14F2N4O2Sc1322131816819(13)17794510(2112(14)15)11(69)202h4812H3H212H3b177+
MFCD06195932
N((E)(4(difluoromethoxy)3methoxyphenyl)methylidene)3(ethylsulfanyl)4H124triazol4amine
ZINC000036611382
ZINC96569231

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Available files

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