Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK016726
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)CCC2
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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 C22H26BrNO5S MW 496.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26BrNO5S/c1-4-30-9-8-29-22(27)18-12(2)24-15-6-5-7-16(25)20(15)19(18)13-10-14(23)21(26)17(11-13)28-3/h10-11,19,24,26H,4-9H2,1-3H3InChIKey
CUFTURFAMUTMKG-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)CCC2
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OC)C(=O)CCC2)C
InChI=1SC22H26BrNO5Sc1430982922(27)1812(2)241565716(25)20(15)19(18)131014(23)21(26)17(1113)283h1011192426H49H213H3
MFCD01446367
STK016726
ZINC000002927252
ZINC000002927255
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