Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403122
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)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 C29H32BrNO6S MW 602.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32BrNO6S/c1-5-38-11-10-37-29(34)25-16(2)31-21-13-17(19-8-6-7-9-23(19)35-3)14-22(32)27(21)26(25)18-12-20(30)28(33)24(15-18)36-4/h6-9,12,15,17,26,31,33H,5,10-11,13-14H2,1-4H3InChIKey
ZMXCQPSKYTVKEP-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(3bromo4hydroxy5methoxyphenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3bromo4hydroxy5methoxyphenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OC)C(=O)CC(C2)C4=CC=CC=C4OC)C
InChI=1SC29H32BrNO6Sc153811103729(34)2516(2)31211317(19867923(19)353)1422(32)27(21)26(25)181220(30)28(33)24(1518)364h69121517263133H510111314H214H3
MFCD03371095
ZINC000097939708
ZINC000097939711
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