Vitas-M small molecule compound

4-[(E)-{[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]imino}methyl]-2-ethoxyphenol

Catalog ID
STL173758
SMILES CCOc1cc(ccc1O)/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 C13H14F2N4O2S MW 328.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14F2N4O2S/c1-3-21-10-6-8(4-5-9(10)20)7-16-19-12(11(14)15)17-18-13(19)22-2/h4-7,11,20H,3H2,1-2H3/b16-7+
InChIKey
ZQALJPIIDFAROZ-FRKPEAEDSA-N
Synonyms
828280-88-2
4((E)((3(difluoromethyl)5(methylsulfanyl)4H124triazol4yl)imino)methyl)2ethoxyphenol
828280882
CCOc1cc(ccc1O)C=Nn1c(SC)nnc1C(F)F
MFCD04047792
ZINC000002791101

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Available files

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