Vitas-M small molecule compound

3-(difluoromethyl)-N-[(E)-(4-ethoxyphenyl)methylidene]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine

Catalog ID
STL177282
SMILES CCOc1ccc(cc1)/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 C13H14F2N4OS MW 312.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14F2N4OS/c1-3-20-10-6-4-9(5-7-10)8-16-19-12(11(14)15)17-18-13(19)21-2/h4-8,11H,3H2,1-2H3/b16-8+
InChIKey
XWMYZQCIKAMTSH-LZYBPNLTSA-N
Synonyms

(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(4ethoxyphenyl)methanimine
3(difluoromethyl)N((E)(4ethoxyphenyl)methylidene)5(methylsulfanyl)4H124triazol4amine
CCOC1=CC=C(C=C1)C=NN2C(=NN=C2SC)C(F)F
CCOc1ccc(cc1)C=Nn1c(SC)nnc1C(F)F
InChI=1SC13H14F2N4OSc132010649(5710)8161912(11(14)15)171813(19)212h4811H3H212H3b168+
MFCD04052652
ZINC000002791607
ZINC2791606

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Available files

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