Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK046727
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)OC)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 C24H30BrNO4S MW 508.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30BrNO4S/c1-6-31-10-9-30-23(28)20-14(2)26-17-12-24(3,4)13-18(27)22(17)21(20)15-7-8-19(29-5)16(25)11-15/h7-8,11,21,26H,6,9-10,12-13H2,1-5H3InChIKey
KYHKZYQULSBGOK-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(3bromo4methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3bromo4methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)OC)C(=O)CC(C2)(C)C
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)Br)C(=O)CC(C2)(C)C)C
InChI=1SC24H30BrNO4Sc16311093023(28)2014(2)26171224(34)1318(27)22(17)21(20)157819(295)16(25)1115h78112126H69101213H215H3
MFCD02375924
STK046727
ZINC000002775939
ZINC000002775940
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