Vitas-M small molecule compound

4-{[(E)-{4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol

Catalog ID
STK306306
SMILES COc1ccc(cc1COc1c(F)c(F)cc(c1F)F)/C=N/n1cnnc1S

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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 C17H12F4N4O2S MW 412.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12F4N4O2S/c1-26-13-3-2-9(6-23-25-8-22-24-17(25)28)4-10(13)7-27-16-14(20)11(18)5-12(19)15(16)21/h2-6,8H,7H2,1H3,(H,24,28)/b23-6+
InChIKey
ZZOACUXSVUIIDL-TXNBCWFRSA-N
Synonyms
828277-92-5
4(((E)(4methoxy3((2356tetrafluorophenoxy)methyl)phenyl)methylidene)amino)4H124triazole3thiol
4((E)(4methoxy3((2356tetrafluorophenoxy)methyl)phenyl)methylideneamino)1H124triazole5thione
828277925
COC1=C(C=C(C=C1)C=NN2C=NNC2=S)COC3=C(C(=CC(=C3F)F)F)F
COc1ccc(cc1COc1c(F)c(F)cc(c1F)F)C=Nn1cnnc1S
InChI=1SC17H12F4N4O2Sc12613329(623258222417(25)28)410(13)7271614(20)11(18)512(19)15(16)21h268H7H21H3(H2428)b236+
MFCD04056283
ZINC000002789871
ZINC35678989

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Available files

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