Vitas-M small molecule compound

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

Catalog ID
STL340860
SMILES CCn1c(SCC(=O)C(C)(C)C)nnc1c1ccccn1

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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 C15H20N4OS MW 304.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20N4OS/c1-5-19-13(11-8-6-7-9-16-11)17-18-14(19)21-10-12(20)15(2,3)4/h6-9H,5,10H2,1-4H3
InChIKey
JRRCRKBDYZPBHT-UHFFFAOYSA-N
Synonyms
573970-88-4
1((4ETHYL5(2PYRIDINYL)124TRIAZOL3YL)THIO)33DIMETHYL2BUTANONE
1((4ETHYL5(2PYRIDINYL)4H124TRIAZOL3YL)THIO)33DIMETHYL2BUTANONE
1((4ETHYL5(2PYRIDYL)124TRIAZOL3YL)THIO)33DIMETHYLBUTAN2ONE
1((4ethyl5(pyridin2yl)4H124triazol3yl)sulfanyl)33dimethylbutan2one
1((4ethyl5(pyridin2yl)4H124triazol3yl)thio)33dimethylbutan2one
1((4ETHYL5PYRIDIN2YL124TRIAZOL3YL)SULFANYL)33DIMETHYLBUTAN2ONE
1(4ETHYL5(2PYRIDYL)(124TRIAZOL3YLTHIO))33DIMETHYLBUTAN2ONE
573970884
CCN1C(=NN=C1SCC(=O)C(C)(C)C)C2=CC=CC=N2
InChI=1SC15H20N4OSc151913(1186791611)171814(19)211012(20)15(23)4h69H510H214H3
MFCD04022969
ZINC000000530665
ZINC00530665
ZINC530665

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.