Vitas-M small molecule compound
5-(difluoromethyl)-4-({(E)-[3-(ethoxymethyl)-4-methoxyphenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173787
SMILES CCOCc1cc(ccc1OC)/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 C14H16F2N4O2S MW 342.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16F2N4O2S/c1-3-22-8-10-6-9(4-5-11(10)21-2)7-17-20-13(12(15)16)18-19-14(20)23/h4-7,12H,3,8H2,1-2H3,(H,19,23)/b17-7+InChIKey
KWRYJXPCRIKSPE-REZTVBANSA-NSynonyms
828284-87-33(difluoromethyl)4((E)(3(ethoxymethyl)4methoxyphenyl)methylideneamino)1H124triazole5thione
5(difluoromethyl)4(((E)(3(ethoxymethyl)4methoxyphenyl)methylidene)amino)4H124triazole3thiol
828284873
CCOCC1=C(C=CC(=C1)C=NN2C(=NNC2=S)C(F)F)OC
CCOCc1cc(ccc1OC)C=Nn1c(S)nnc1C(F)F
InChI=1SC14H16F2N4O2Sc132281069(4511(10)212)7172013(12(15)16)181914(20)23h4712H38H212H3(H1923)b177+
MFCD04047849
ZINC000002791886
ZINC2791885
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