Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK067656
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)CC(C2)c1ccc(cc1)Cl
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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 C28H29BrClNO5S MW 606.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29BrClNO5S/c1-4-37-10-9-36-28(34)24-15(2)31-21-12-17(16-5-7-19(30)8-6-16)13-22(32)26(21)25(24)18-11-20(29)27(33)23(14-18)35-3/h5-8,11,14,17,25,31,33H,4,9-10,12-13H2,1-3H3InChIKey
KUGJLGNERNTKLS-UHFFFAOYSA-NSynonyms
312622-85-82(ethylsulfanyl)ethyl4(3bromo4hydroxy5methoxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3bromo4hydroxy5methoxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
312622858
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)CC(C2)c1ccc(cc1)Cl
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OC)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
InChI=1SC28H29BrClNO5Sc14371093628(34)2415(2)31211217(165719(30)8616)1322(32)26(21)25(24)181120(29)27(33)23(1418)353h58111417253133H49101213H213H3
MFCD01825221
STK067656
ZINC000100581866
ZINC000100581877
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