Vitas-M small molecule compound

4-{[(E)-{3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}methylidene]amino}-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK306676
SMILES COc1ccc(cc1COc1ccc(cc1Cl)F)/C=N/n1c(S)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 C18H14ClF3N4O2S MW 442.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClF3N4O2S/c1-27-14-4-2-10(8-23-26-17(16(21)22)24-25-18(26)29)6-11(14)9-28-15-5-3-12(20)7-13(15)19/h2-8,16H,9H2,1H3,(H,25,29)/b23-8+
InChIKey
BGXOCEFSXVCPLI-LIMNOBDPSA-N
Synonyms
828282-25-3
4(((E)(3((2chloro4fluorophenoxy)methyl)4methoxyphenyl)methylidene)amino)5(difluoromethyl)4H124triazole3thiol
4((E)(3((2chloro4fluorophenoxy)methyl)4methoxyphenyl)methylideneamino)3(difluoromethyl)1H124triazole5thione
828282253
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C(F)F)COC3=C(C=C(C=C3)F)Cl
COc1ccc(cc1COc1ccc(cc1Cl)F)C=Nn1c(S)nnc1C(F)F
InChI=1SC18H14ClF3N4O2Sc127144210(8232617(16(21)22)242518(26)29)611(14)928155312(20)713(15)19h2816H9H21H3(H2529)b238+
MFCD04056427
ZINC000002791473
ZINC2791472

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Available files

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