Vitas-M small molecule compound

ethyl 4-{[6-tert-butyl-3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate

Catalog ID
STK524721
SMILES CCOC(=O)CC(=O)CSc1nc2CCC(Cc2c(c1C#N)c1cccs1)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 C24H28N2O3S2 MW 456.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O3S2/c1-5-29-21(28)12-16(27)14-31-23-18(13-25)22(20-7-6-10-30-20)17-11-15(24(2,3)4)8-9-19(17)26-23/h6-7,10,15H,5,8-9,11-12,14H2,1-4H3
InChIKey
RCOCZFFUZDJSKW-UHFFFAOYSA-N
Synonyms
316359-92-9
CCOC(=O)CC(=O)CSC1=NC2=C(CC(CC2)C(C)(C)C)C(=C1C#N)C3=CC=CS3
ethyl4((6(tertbutyl)3cyano4(thiophen2yl)5678tetrahydroquinolin2yl)thio)3oxobutanoate
ethyl4((6tertbutyl3cyano4(thiophen2yl)5678tetrahydroquinolin2yl)sulfanyl)3oxobutanoate
ethyl4((6tertbutyl3cyano4thiophen2yl5678tetrahydroquinolin2yl)sulfanyl)3oxobutanoate
Registry IDs
MFCD01557445
ZINC000012859841
ZINC000012859846

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Available files

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