Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK004145
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)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 C26H29NO5S MW 467.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO5S/c1-5-33-11-10-31-25(30)21-15(2)27-18-12-26(3,4)13-19(28)23(18)22(21)17-14-32-20-9-7-6-8-16(20)24(17)29/h6-9,14,22,27H,5,10-13H2,1-4H3InChIKey
RMPPWGQORIPSSB-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl277trimethyl5oxo4(4oxo4Hchromen3yl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl277trimethyl5oxo4(4oxochromen3yl)1468tetrahydroquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CC(C2)(C)C
CCSCCOC(=O)C1=C(NC2=C(C1C3=COC4=CC=CC=C4C3=O)C(=O)CC(C2)(C)C)C
InChI=1SC26H29NO5Sc153311103125(30)2115(2)27181226(34)1319(28)23(18)22(21)17143220976816(20)24(17)29h69142227H51013H214H3
MFCD01825071
STK004145
ZINC000002824589
ZINC000002824590
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