Vitas-M small molecule compound
N-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL177268
SMILES COc1cc(ccc1OCc1ccccc1)/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 C19H18F2N4O2S MW 404.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18F2N4O2S/c1-26-16-10-14(8-9-15(16)27-12-13-6-4-3-5-7-13)11-22-25-18(17(20)21)23-24-19(25)28-2/h3-11,17H,12H2,1-2H3/b22-11+InChIKey
FWEOFMLBZIJLIU-SSDVNMTOSA-NSynonyms
828280-77-9(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(3methoxy4phenylmethoxyphenyl)methanimine
828280779
COC1=C(C=CC(=C1)C=NN2C(=NN=C2SC)C(F)F)OCC3=CC=CC=C3
COc1cc(ccc1OCc1ccccc1)C=Nn1c(SC)nnc1C(F)F
InChI=1SC19H18F2N4O2Sc126161014(8915(16)2712136435713)11222518(17(20)21)232419(25)282h31117H12H212H3b2211+
MFCD04052579
N((E)(4(benzyloxy)3methoxyphenyl)methylidene)3(difluoromethyl)5(methylsulfanyl)4H124triazol4amine
ZINC000002791071
ZINC2791070
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