Vitas-M small molecule compound
4-({(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}amino)-5-ethyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173501
SMILES COc1cc(ccc1OC(F)F)/C=N/n1c(S)nnc1CC
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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 C13H14F2N4O2S MW 328.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14F2N4O2S/c1-3-11-17-18-13(22)19(11)16-7-8-4-5-9(21-12(14)15)10(6-8)20-2/h4-7,12H,3H2,1-2H3,(H,18,22)/b16-7+InChIKey
PJYAVWNEPOEFGG-FRKPEAEDSA-NSynonyms
866763-22-64(((E)(4(difluoromethoxy)3methoxyphenyl)methylidene)amino)5ethyl4H124triazole3thiol
4((E)(4(difluoromethoxy)3methoxyphenyl)methylideneamino)3ethyl1H124triazole5thione
866763226
CCC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OC(F)F)OC
COc1cc(ccc1OC(F)F)C=Nn1c(S)nnc1CC
InChI=1SC13H14F2N4O2Sc1311171813(22)19(11)1678459(2112(14)15)10(68)202h4712H3H212H3(H1822)b167+
MFCD08552902
ZINC000008183010
ZINC38588599
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