Vitas-M small molecule compound
N-[(E)-{4-[(3,4-diethoxybenzyl)oxy]phenyl}methylidene]-3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL177376
SMILES CCOc1cc(COc2ccc(cc2)/C=N/n2c(SC)nnc2C(F)F)ccc1OCC
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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 C22H24F2N4O3S MW 462.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24F2N4O3S/c1-4-29-18-11-8-16(12-19(18)30-5-2)14-31-17-9-6-15(7-10-17)13-25-28-21(20(23)24)26-27-22(28)32-3/h6-13,20H,4-5,14H2,1-3H3/b25-13+InChIKey
FIWZYHKDISKAOF-DHRITJCHSA-NSynonyms
(E)1(4((34diethoxyphenyl)methoxy)phenyl)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)methanimine
CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)C=NN3C(=NN=C3SC)C(F)F)OCC
CCOc1cc(COc2ccc(cc2)C=Nn2c(SC)nnc2C(F)F)ccc1OCC
InChI=1SC22H24F2N4O3Sc14291811816(1219(18)3052)1431179615(71017)13252821(20(23)24)262722(28)323h61320H4514H213H3b2513+
MFCD04053611
N((E)(4((34diethoxybenzyl)oxy)phenyl)methylidene)3(difluoromethyl)5(methylsulfanyl)4H124triazol4amine
ZINC000002791280
ZINC2791279
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