Vitas-M small molecule compound

1-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one

Catalog ID
STL057146
SMILES COc1ccc(cc1)n1c(SCC(=O)C(C)(C)C)nnc1c1cccc(c1)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 C22H25N3O2S MW 395.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O2S/c1-15-7-6-8-16(13-15)20-23-24-21(28-14-19(26)22(2,3)4)25(20)17-9-11-18(27-5)12-10-17/h6-13H,14H2,1-5H3
InChIKey
BUYUTPSEXUHZAM-UHFFFAOYSA-N
Synonyms
731829-35-9
1((4(4METHOXYPHENYL)5(3METHYLPHENYL)124TRIAZOL3YL)SULFANYL)33DIMETHYLBUTAN2ONE
1((4(4methoxyphenyl)5(3methylphenyl)4H124triazol3yl)sulfanyl)33dimethylbutan2one
1((4(4methoxyphenyl)5(mtolyl)4H124triazol3yl)thio)33dimethylbutan2one
1(4(4METHOXYPHENYL)5(3METHYLPHENYL)(124TRIAZOL3YLTHIO))33DIMETHYLBUTAN2ONE
731829359
CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)C(C)(C)C
InChI=1SC22H25N3O2Sc11576816(1315)20232421(281419(26)22(23)4)25(20)1791118(275)121017h613H14H215H3
MFCD04632404
ZINC000005477989
ZINC05477989
ZINC5477989

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Available files

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