Vitas-M small molecule compound

2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK407087
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCCC)C(=O)CCC2

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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 C24H31NO4S MW 429.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO4S/c1-4-13-28-20-12-7-6-9-17(20)22-21(24(27)29-14-15-30-5-2)16(3)25-18-10-8-11-19(26)23(18)22/h6-7,9,12,22,25H,4-5,8,10-11,13-15H2,1-3H3
InChIKey
ZETXHDFPDSAHAA-UHFFFAOYSA-N
Synonyms
879039-22-2
2(ethylsulfanyl)ethyl2methyl5oxo4(2propoxyphenyl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl2methyl5oxo4(2propoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
879039222
CCCOC1=CC=CC=C1C2C3=C(CCCC3=O)NC(=C2C(=O)OCCSCC)C
InChI=1SC24H31NO4Sc141328201276917(20)2221(24(27)2914153052)16(3)25181081119(26)23(18)22h679122225H45810111315H213H3
MFCD07402525
ZINC000004945333
ZINC000004945334

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Available files

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