Vitas-M small molecule compound
3-(difluoromethyl)-N-[(E)-{4-methoxy-3-[(2-methylphenoxy)methyl]phenyl}methylidene]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STL177296
SMILES COc1ccc(cc1COc1ccccc1C)/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 C20H20F2N4O2S MW 418.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20F2N4O2S/c1-13-6-4-5-7-16(13)28-12-15-10-14(8-9-17(15)27-2)11-23-26-19(18(21)22)24-25-20(26)29-3/h4-11,18H,12H2,1-3H3/b23-11+InChIKey
FSDBKZILTLWBDY-FOKLQQMPSA-NSynonyms
828285-63-8(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(4methoxy3((2methylphenoxy)methyl)phenyl)methanimine
3(difluoromethyl)N((E)(4methoxy3((2methylphenoxy)methyl)phenyl)methylidene)5(methylsulfanyl)4H124triazol4amine
828285638
CC1=CC=CC=C1OCC2=C(C=CC(=C2)C=NN3C(=NN=C3SC)C(F)F)OC
COc1ccc(cc1COc1ccccc1C)C=Nn1c(SC)nnc1C(F)F
InChI=1SC20H20F2N4O2Sc113645716(13)2812151014(8917(15)272)11232619(18(21)22)242520(26)293h41118H12H213H3b2311+
MFCD04052668
ZINC000002792071
ZINC2792070
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