Vitas-M small molecule compound
4-{[(E)-{3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl}methylidene]amino}-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK306797
SMILES COc1ccc(cc1COc1cccc(c1Cl)Cl)/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 C18H14Cl2F2N4O2S MW 459.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14Cl2F2N4O2S/c1-27-13-6-5-10(8-23-26-17(16(21)22)24-25-18(26)29)7-11(13)9-28-14-4-2-3-12(19)15(14)20/h2-8,16H,9H2,1H3,(H,25,29)/b23-8+InChIKey
CCVOJSRQWMIPKV-LIMNOBDPSA-NSynonyms
828284-96-44(((E)(3((23dichlorophenoxy)methyl)4methoxyphenyl)methylidene)amino)5(difluoromethyl)4H124triazole3thiol
4((E)(3((23dichlorophenoxy)methyl)4methoxyphenyl)methylideneamino)3(difluoromethyl)1H124triazole5thione
828284964
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C(F)F)COC3=C(C(=CC=C3)Cl)Cl
COc1ccc(cc1COc1cccc(c1Cl)Cl)C=Nn1c(S)nnc1C(F)F
InChI=1SC18H14Cl2F2N4O2Sc127136510(8232617(16(21)22)242518(26)29)711(13)9281442312(19)15(14)20h2816H9H21H3(H2529)b238+
MFCD04047841
ZINC000002791900
ZINC2791899
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