Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(2-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK099371
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCC)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 C23H29NO4S MW 415.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO4S/c1-4-27-19-12-7-6-9-16(19)21-20(23(26)28-13-14-29-5-2)15(3)24-17-10-8-11-18(25)22(17)21/h6-7,9,12,21,24H,4-5,8,10-11,13-14H2,1-3H3InChIKey
GQFHYRWUMJITKU-UHFFFAOYSA-NSynonyms
420096-28-22(ethylsulfanyl)ethyl4(2ethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(2ethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
420096282
CCOC1=CC=CC=C1C2C3=C(CCCC3=O)NC(=C2C(=O)OCCSCC)C
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCC)C(=O)CCC2
InChI=1SC23H29NO4Sc1427191276916(19)2120(23(26)2813142952)15(3)24171081118(25)22(17)21h679122124H45810111314H213H3
MFCD02632899
STK099371
ZINC000004536380
ZINC000004536382
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