Vitas-M small molecule compound
butyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402313
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OCC)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 C23H28BrNO5 MW 478.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28BrNO5/c1-4-6-10-30-23(28)19-13(3)25-16-8-7-9-17(26)21(16)20(19)14-11-15(24)22(27)18(12-14)29-5-2/h11-12,20,25,27H,4-10H2,1-3H3InChIKey
WYNKELIGSJTZKH-UHFFFAOYSA-NSynonyms
butyl4(3bromo5ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butyl4(3bromo5ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OCC)C(=O)CCC2)C
InChI=1SC23H28BrNO5c146103023(28)1913(3)251687917(26)21(16)20(19)141115(24)22(27)18(1214)2952h1112202527H410H213H3
MFCD01367205
ZINC000002082416
ZINC000002082417
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