Vitas-M small molecule compound
ethyl [(5-{2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Catalog ID
STL140452
SMILES CCOC(=O)CSc1nnc(n1C)CC(=O)Nc1ccc(cc1C)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 C17H22N4O3S MW 362.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O3S/c1-5-24-16(23)10-25-17-20-19-14(21(17)4)9-15(22)18-13-7-6-11(2)8-12(13)3/h6-8H,5,9-10H2,1-4H3,(H,18,22)InChIKey
QOOHJVDRTQFGPC-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NN=C(N1C)CC(=O)NC2=C(C=C(C=C2)C)C
ethyl((5(2((24dimethylphenyl)amino)2oxoethyl)4methyl4H124triazol3yl)sulfanyl)acetate
ethyl2((5(2(24dimethylanilino)2oxoethyl)4methyl124triazol3yl)sulfanyl)acetate
InChI=1SC17H22N4O3Sc152416(23)102517201914(21(17)4)915(22)18137611(2)812(13)3h68H5910H214H3(H1822)
MFCD18434955
ZINC000057291886
ZINC57291886
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