Vitas-M small molecule compound
3-(difluoromethyl)-N-{(E)-[4-methoxy-3-(phenoxymethyl)phenyl]methylidene}-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL177266
SMILES COc1ccc(cc1COc1ccccc1)/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/c1-26-16-9-8-13(10-14(16)12-27-15-6-4-3-5-7-15)11-22-25-18(17(20)21)23-24-19(25)28-2/h3-11,17H,12H2,1-2H3/b22-11+InChIKey
IYRZUKFFSYUXED-SSDVNMTOSA-NSynonyms
828281-22-7(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(4methoxy3(phenoxymethyl)phenyl)methanimine
3(difluoromethyl)N((E)(4methoxy3(phenoxymethyl)phenyl)methylidene)5(methylsulfanyl)4H124triazol4amine
828281227
COC1=C(C=C(C=C1)C=NN2C(=NN=C2SC)C(F)F)COC3=CC=CC=C3
COc1ccc(cc1COc1ccccc1)C=Nn1c(SC)nnc1C(F)F
InChI=1SC19H18F2N4O2Sc126169813(1014(16)1227156435715)11222518(17(20)21)232419(25)282h31117H12H212H3b2211+
MFCD04052576
ZINC000002791202
ZINC2791201
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