Vitas-M small molecule compound
ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK387220
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)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 C22H26BrNO5 MW 464.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26BrNO5/c1-6-29-21(27)17-11(2)24-14-9-22(3,4)10-15(25)19(14)18(17)12-7-13(23)20(26)16(8-12)28-5/h7-8,18,24,26H,6,9-10H2,1-5H3InChIKey
OKJVKFOMUFDMEO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OC)C(=O)CC(C2)(C)C)C
ethyl4(3bromo4hydroxy5methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3bromo4hydroxy5methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC22H26BrNO5c162921(27)1711(2)2414922(34)1015(25)19(14)18(17)12713(23)20(26)16(812)285h78182426H6910H215H3
MFCD00337145
ZINC000000627052
ZINC000000627059
Check stock
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Check stock on Vitas-MAvailable files
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