Vitas-M small molecule compound
3-(difluoromethyl)-N-[(E)-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}methylidene]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL177380
SMILES COc1ccc(cc1COCC(F)(F)F)/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 C15H15F5N4O2S MW 410.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15F5N4O2S/c1-25-11-4-3-9(5-10(11)7-26-8-15(18,19)20)6-21-24-13(12(16)17)22-23-14(24)27-2/h3-6,12H,7-8H2,1-2H3/b21-6+InChIKey
MEUMTKBSVHOACG-AERZKKPOSA-NSynonyms
(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(4methoxy3(222trifluoroethoxymethyl)phenyl)methanimine
3(difluoromethyl)N((E)(4methoxy3((222trifluoroethoxy)methyl)phenyl)methylidene)5(methylsulfanyl)4H124triazol4amine
COC1=C(C=C(C=C1)C=NN2C(=NN=C2SC)C(F)F)COCC(F)(F)F
COc1ccc(cc1COCC(F)(F)F)C=Nn1c(SC)nnc1C(F)F
InChI=1SC15H15F5N4O2Sc12511439(510(11)726815(1819)20)6212413(12(16)17)222314(24)272h3612H78H212H3b216+
MFCD04053618
ZINC000002790055
ZINC2790054
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