Vitas-M small molecule compound
3-(difluoromethyl)-N-[(E)-{5-[(4-ethoxyphenoxy)methyl]furan-2-yl}methylidene]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL176610
SMILES CCOc1ccc(cc1)OCc1ccc(o1)/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 C18H18F2N4O3S MW 408.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18F2N4O3S/c1-3-25-12-4-6-13(7-5-12)26-11-15-9-8-14(27-15)10-21-24-17(16(19)20)22-23-18(24)28-2/h4-10,16H,3,11H2,1-2H3/b21-10+InChIKey
YBUWMKVGXNONNE-UFFVCSGVSA-NSynonyms
828280-19-9(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(5((4ethoxyphenoxy)methyl)furan2yl)methanimine
3(difluoromethyl)N((E)(5((4ethoxyphenoxy)methyl)furan2yl)methylidene)5(methylsulfanyl)4H124triazol4amine
828280199
CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C=NN3C(=NN=C3SC)C(F)F
CCOc1ccc(cc1)OCc1ccc(o1)C=Nn1c(SC)nnc1C(F)F
InChI=1SC18H18F2N4O3Sc1325124613(7512)2611159814(2715)10212417(16(19)20)222318(24)282h41016H311H212H3b2110+
MFCD04049716
ZINC000002790911
ZINC35679167
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