Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK062593
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccsc1)C(=O)CC(C2)c1ccccc1OC
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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 C26H29NO4S2 MW 483.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO4S2/c1-4-32-12-10-31-26(29)23-16(2)27-20-13-18(19-7-5-6-8-22(19)30-3)14-21(28)25(20)24(23)17-9-11-33-15-17/h5-9,11,15,18,24,27H,4,10,12-14H2,1-3H3InChIKey
HSPDIFNXUFPOLG-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl7(2methoxyphenyl)2methyl5oxo4(thiophen3yl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl7(2methoxyphenyl)2methyl5oxo4thiophen3yl4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccsc1)C(=O)CC(C2)c1ccccc1OC
CCSCCOC(=O)C1=C(NC2=C(C1C3=CSC=C3)C(=O)CC(C2)C4=CC=CC=C4OC)C
InChI=1SC26H29NO4S2c143212103126(29)2316(2)27201318(19756822(19)303)1421(28)25(20)24(23)17911331517h591115182427H4101214H213H3
MFCD03145415
STK062593
ZINC000002727201
ZINC000002727204
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