Vitas-M small molecule compound
ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK407227
SMILES CCOC(=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 C21H24BrNO5 MW 450.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrNO5/c1-4-27-16-10-12(9-13(22)20(16)25)18-17(21(26)28-5-2)11(3)23-14-7-6-8-15(24)19(14)18/h9-10,18,23,25H,4-8H2,1-3H3InChIKey
HZGJZOSCLUNEGL-UHFFFAOYSA-NSynonyms
329195-57-5329195575
CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC)C)Br)O
ethyl4(3bromo5ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3bromo5ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC21H24BrNO5c1427161012(913(22)20(16)25)1817(21(26)2852)11(3)231476815(24)19(14)18h910182325H48H213H3
MFCD01367212
ZINC000008430218
ZINC000008430219
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