Vitas-M small molecule compound
ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363206
SMILES CCOC(=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 C20H22BrNO5 MW 436.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrNO5/c1-4-27-20(25)16-10(2)22-13-6-5-7-14(23)18(13)17(16)11-8-12(21)19(24)15(9-11)26-3/h8-9,17,22,24H,4-7H2,1-3H3InChIKey
VPQRNZFGZFCEOA-UHFFFAOYSA-NSynonyms
299451-78-8299451788
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OC)C(=O)CCC2)C
ethyl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC20H22BrNO5c142720(25)1610(2)221365714(23)18(13)17(16)11812(21)19(24)15(911)263h89172224H47H213H3
MFCD00717840
ZINC000000626576
ZINC000000626580
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