Vitas-M small molecule compound
ethyl {4-[(E)-{[3-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenoxy}acetate
Catalog ID
STK506472
SMILES CCOC(=O)COc1ccc(cc1)/C=N/n1c(S)nnc1c1ccc(cc1)C
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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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-3-26-18(25)13-27-17-10-6-15(7-11-17)12-21-24-19(22-23-20(24)28)16-8-4-14(2)5-9-16/h4-12H,3,13H2,1-2H3,(H,23,28)/b21-12+InChIKey
KRONRGMGSYEKPC-CIAFOILYSA-NSynonyms
CCOC(=O)COC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=C(C=C3)C
CCOC(=O)COc1ccc(cc1)C=Nn1c(S)nnc1c1ccc(cc1)C
ethyl(4((E)((3(4methylphenyl)5sulfanyl4H124triazol4yl)imino)methyl)phenoxy)acetate
ETHYL2(4((E)(3(4METHYLPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)PHENOXY)ACETATE
InChI=1SC20H20N4O3Sc132618(25)13271710615(71117)12212419(222320(24)28)168414(2)5916h412H313H212H3(H2328)b2112+
MFCD01018404
ZINC000005510201
ZINC993774
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