Vitas-M small molecule compound

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

Catalog ID
STK748822
SMILES CCOC(=O)CC(=O)CSc1nc2CCCCc2c(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 C20H20N2O3S2 MW 400.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O3S2/c1-2-25-18(24)10-13(23)12-27-20-15(11-21)19(17-8-5-9-26-17)14-6-3-4-7-16(14)22-20/h5,8-9H,2-4,6-7,10,12H2,1H3
InChIKey
OXSRVGTVCROOLL-UHFFFAOYSA-N
Synonyms
290299-65-9
290299659
CCOC(=O)CC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=CS3
ethyl4((3cyano4(thiophen2yl)5678tetrahydroquinolin2yl)sulfanyl)3oxobutanoate
ethyl4((3cyano4(thiophen2yl)5678tetrahydroquinolin2yl)thio)3oxobutanoate
ethyl4((3cyano4thiophen2yl5678tetrahydroquinolin2yl)sulfanyl)3oxobutanoate
InChI=1SC20H20N2O3S2c122518(24)1013(23)12272015(1121)19(178592617)14634716(14)2220h589H24671012H21H3
MFCD00743914
ZINC000002362090
ZINC02362090
ZINC2362090

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Available files

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