Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-[2-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK085602
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)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 C28H31NO4S MW 477.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4S/c1-3-34-17-16-32-28(31)25-19(2)29-22-13-9-14-23(30)27(22)26(25)21-12-7-8-15-24(21)33-18-20-10-5-4-6-11-20/h4-8,10-12,15,26,29H,3,9,13-14,16-18H2,1-2H3InChIKey
BBLWDVJIXBQFOU-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(2(benzyloxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl2methyl5oxo4(2phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CCC2
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)CCC2)C
InChI=1SC28H31NO4Sc133417163228(31)2519(2)29221391423(30)27(22)26(25)2112781524(21)331820105461120h481012152629H3913141618H212H3
MFCD02375955
STK085602
ZINC000002775255
ZINC000002775256
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