Vitas-M small molecule compound
4-({(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}amino)-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK306410
SMILES COc1cc(ccc1OC(F)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 C12H10F4N4O2S MW 350.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10F4N4O2S/c1-21-8-4-6(2-3-7(8)22-11(15)16)5-17-20-10(9(13)14)18-19-12(20)23/h2-5,9,11H,1H3,(H,19,23)/b17-5+InChIKey
GRVLFWOHDPACLW-YAXRCOADSA-NSynonyms
828279-33-04(((E)(4(difluoromethoxy)3methoxyphenyl)methylidene)amino)5(difluoromethyl)4H124triazole3thiol
4((E)(4(difluoromethoxy)3methoxyphenyl)methylideneamino)3(difluoromethyl)1H124triazole5thione
828279330
COC1=C(C=CC(=C1)C=NN2C(=NNC2=S)C(F)F)OC(F)F
COc1cc(ccc1OC(F)F)C=Nn1c(S)nnc1C(F)F
InChI=1SC12H10F4N4O2Sc121846(237(8)2211(15)16)5172010(9(13)14)181912(20)23h25911H1H3(H1923)b175+
MFCD04047835
ZINC000008470973
ZINC2790234
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