Vitas-M small molecule compound

ethyl 4-{[3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate

Catalog ID
STK843639
SMILES CCOC(=O)CC(=O)CSc1nc(C)cc(c1C#N)c1cccs1

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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 C17H16N2O3S2 MW 360.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O3S2/c1-3-22-16(21)8-12(20)10-24-17-14(9-18)13(7-11(2)19-17)15-5-4-6-23-15/h4-7H,3,8,10H2,1-2H3
InChIKey
DZGXZCWVRIHHQJ-UHFFFAOYSA-N
Synonyms
445265-65-6
445265656
CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C)C2=CC=CS2)C#N
ethyl4((3cyano6methyl4(thiophen2yl)pyridin2yl)sulfanyl)3oxobutanoate
ethyl4((3cyano6methyl4(thiophen2yl)pyridin2yl)thio)3oxobutanoate
ETHYL4(3CYANO6METHYL4THIOPHEN2YLPYRIDIN2YL)SULFANYL3OXOBUTANOATE
InChI=1SC17H16N2O3S2c132216(21)812(20)10241714(918)13(711(2)1917)155462315h47H3810H212H3
MFCD01789556
ZINC000002118047
ZINC02118047
ZINC2118047

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Available files

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