Vitas-M small molecule compound

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

Catalog ID
STK050075
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)(C)C

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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 C24H31NO3S2 MW 445.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO3S2/c1-6-30-12-11-28-23(27)20-15(2)25-18-13-24(3,4)14-19(26)22(18)21(20)16-7-9-17(29-5)10-8-16/h7-10,21,25H,6,11-14H2,1-5H3
InChIKey
YZWSCBAAIOOYLZ-UHFFFAOYSA-N
Synonyms

2(ethylsulfanyl)ethyl277trimethyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl277trimethyl4(4methylsulfanylphenyl)5oxo1468tetrahydroquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)(C)C
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)SC)C(=O)CC(C2)(C)C)C
InChI=1SC24H31NO3S2c163012112823(27)2015(2)25181324(34)1419(26)22(18)21(20)167917(295)10816h7102125H61114H215H3
MFCD02375969
STK050075
ZINC000002775522
ZINC000002775523

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Available files

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