Vitas-M small molecule compound
5-(difluoromethyl)-4-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173780
SMILES COc1c(OC)cc(cc1OC)/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 C13H14F2N4O3S MW 344.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14F2N4O3S/c1-20-8-4-7(5-9(21-2)10(8)22-3)6-16-19-12(11(14)15)17-18-13(19)23/h4-6,11H,1-3H3,(H,18,23)/b16-6+InChIKey
MGOGYHJWROEEAH-OMCISZLKSA-NSynonyms
828277-57-23(difluoromethyl)4((E)(345trimethoxyphenyl)methylideneamino)1H124triazole5thione
5(difluoromethyl)4(((E)(345trimethoxyphenyl)methylidene)amino)4H124triazole3thiol
828277572
COC1=CC(=CC(=C1OC)OC)C=NN2C(=NNC2=S)C(F)F
COc1c(OC)cc(cc1OC)C=Nn1c(S)nnc1C(F)F
InChI=1SC13H14F2N4O3Sc120847(59(212)10(8)223)6161912(11(14)15)171813(19)23h4611H13H3(H1823)b166+
MFCD04047836
ZINC000008469945
ZINC2789761
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