Vitas-M small molecule compound

2-(ethylsulfanyl)ethyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK088009
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(=O)OC)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 C23H27NO5S MW 429.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO5S/c1-4-30-13-12-29-23(27)19-14(2)24-17-6-5-7-18(25)21(17)20(19)15-8-10-16(11-9-15)22(26)28-3/h8-11,20,24H,4-7,12-13H2,1-3H3
InChIKey
ZFIAVHXRZKANMJ-UHFFFAOYSA-N
Synonyms

2(ethylsulfanyl)ethyl4(4(methoxycarbonyl)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(4methoxycarbonylphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(=O)OC)C(=O)CCC2
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(=O)OC)C(=O)CCC2)C
InChI=1SC23H27NO5Sc143013122923(27)1914(2)241765718(25)21(17)20(19)1581016(11915)22(26)283h8112024H471213H213H3
MFCD01446325
STK088009
ZINC000002776006
ZINC000002776007

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Available files

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