Vitas-M small molecule compound

3-(difluoromethyl)-N-[(E)-{4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl}methylidene]-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine

Catalog ID
STL177285
SMILES COc1ccc(cc1)OCc1cc(ccc1OC)/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 C20H20F2N4O3S MW 434.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20F2N4O3S/c1-27-15-5-7-16(8-6-15)29-12-14-10-13(4-9-17(14)28-2)11-23-26-19(18(21)22)24-25-20(26)30-3/h4-11,18H,12H2,1-3H3/b23-11+
InChIKey
GXDPMFMBIDTTTL-FOKLQQMPSA-N
Synonyms
828279-62-5
(E)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)1(4methoxy3((4methoxyphenoxy)methyl)phenyl)methanimine
3(difluoromethyl)N((E)(4methoxy3((4methoxyphenoxy)methyl)phenyl)methylidene)5(methylsulfanyl)4H124triazol4amine
828279625
COC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C=NN3C(=NN=C3SC)C(F)F)OC
COc1ccc(cc1)OCc1cc(ccc1OC)C=Nn1c(SC)nnc1C(F)F
InChI=1SC20H20F2N4O3Sc127155716(8615)2912141013(4917(14)282)11232619(18(21)22)242520(26)303h41118H12H213H3b2311+
MFCD04052655
ZINC000002790338
ZINC2790337

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Available files

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