Vitas-M small molecule compound
5-(difluoromethyl)-4-{[(E)-{3-[(2-ethoxyphenoxy)methyl]-4-methoxyphenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173833
SMILES CCOc1ccccc1OCc1cc(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 C20H20F2N4O3S MW 434.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20F2N4O3S/c1-3-28-16-6-4-5-7-17(16)29-12-14-10-13(8-9-15(14)27-2)11-23-26-19(18(21)22)24-25-20(26)30/h4-11,18H,3,12H2,1-2H3,(H,25,30)/b23-11+InChIKey
ZTTGSXQTOUSXAY-FOKLQQMPSA-NSynonyms
828287-44-13(difluoromethyl)4((E)(3((2ethoxyphenoxy)methyl)4methoxyphenyl)methylideneamino)1H124triazole5thione
5(difluoromethyl)4(((E)(3((2ethoxyphenoxy)methyl)4methoxyphenyl)methylidene)amino)4H124triazole3thiol
828287441
CCOC1=CC=CC=C1OCC2=C(C=CC(=C2)C=NN3C(=NNC3=S)C(F)F)OC
CCOc1ccccc1OCc1cc(ccc1OC)C=Nn1c(S)nnc1C(F)F
InChI=1SC20H20F2N4O3Sc132816645717(16)2912141013(8915(14)272)11232619(18(21)22)242520(26)30h41118H312H212H3(H2530)b2311+
MFCD04056581
ZINC000002792505
ZINC2792504
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