Vitas-M small molecule compound
1-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Catalog ID
STL040631
SMILES COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)C(C)(C)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 C21H22ClN3O2S MW 415.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O2S/c1-21(2,3)18(26)13-28-20-24-23-19(14-6-5-7-17(12-14)27-4)25(20)16-10-8-15(22)9-11-16/h5-12H,13H2,1-4H3InChIKey
UOTHRGYWKTUOLO-UHFFFAOYSA-NSynonyms
861139-60-81((4(4CHLOROPHENYL)5(3METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)33DIMETHYLBUTAN2ONE
1((4(4chlorophenyl)5(3methoxyphenyl)4H124triazol3yl)sulfanyl)33dimethylbutan2one
1((4(4chlorophenyl)5(3methoxyphenyl)4H124triazol3yl)thio)33dimethylbutan2one
1(4(4CHLOROPHENYL)5(3METHOXYPHENYL)(124TRIAZOL3YLTHIO))33DIMETHYLBUTAN2ONE
861139608
CC(C)(C)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)OC
InChI=1SC21H22ClN3O2Sc121(23)18(26)132820242319(1465717(1214)274)25(20)1610815(22)91116h512H13H214H3
MFCD05534867
ZINC000005478122
ZINC05478122
ZINC5478122
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