Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(3-bromo-4-methoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403033
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)OC)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 C29H32BrNO5S MW 586.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32BrNO5S/c1-5-37-13-12-36-29(33)26-17(2)31-22-15-19(20-8-6-7-9-24(20)34-3)16-23(32)28(22)27(26)18-10-11-25(35-4)21(30)14-18/h6-11,14,19,27,31H,5,12-13,15-16H2,1-4H3InChIKey
URSOQTRVNWVBGJ-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(3bromo4methoxyphenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3bromo4methoxyphenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)Br)C(=O)CC(C2)C4=CC=CC=C4OC)C
InChI=1SC29H32BrNO5Sc153713123629(33)2617(2)31221519(20867924(20)343)1623(32)28(22)27(26)18101125(354)21(30)1418h61114192731H512131516H214H3
MFCD03371043
ZINC000002731711
ZINC000002731714
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