Vitas-M small molecule compound

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

Catalog ID
STL173409
SMILES CCCCSc1nnc(n1/N=C/c1ccccc1F)C(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 C14H15F3N4S MW 328.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15F3N4S/c1-2-3-8-22-14-20-19-13(12(16)17)21(14)18-9-10-6-4-5-7-11(10)15/h4-7,9,12H,2-3,8H2,1H3/b18-9+
InChIKey
IRCFVYMGEVIYIQ-GIJQJNRQSA-N
Synonyms
866815-10-3
(E)N(3butylsulfanyl5(difluoromethyl)124triazol4yl)1(2fluorophenyl)methanimine
3(butylsulfanyl)5(difluoromethyl)N((E)(2fluorophenyl)methylidene)4H124triazol4amine
866815103
CCCCSC1=NN=C(N1N=CC2=CC=CC=C2F)C(F)F
CCCCSc1nnc(n1N=Cc1ccccc1F)C(F)F
InChI=1SC14H15F3N4Sc12382214201913(12(16)17)21(14)18910645711(10)15h47912H238H21H3b189+
MFCD06197258
ZINC000036611902
ZINC96569233

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Available files

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