Vitas-M small molecule compound

propyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK364279
SMILES CCCOC(=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 C21H24BrNO5 MW 450.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrNO5/c1-4-8-28-21(26)17-11(2)23-14-6-5-7-15(24)19(14)18(17)12-9-13(22)20(25)16(10-12)27-3/h9-10,18,23,25H,4-8H2,1-3H3
InChIKey
UCCGIWDUKTUWSO-UHFFFAOYSA-N
Synonyms
299452-13-4
299452134
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OC)C(=O)CCC2)C
InChI=1SC21H24BrNO5c1482821(26)1711(2)231465715(24)19(14)18(17)12913(22)20(25)16(1012)273h910182325H48H213H3
MFCD00753390
propyl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002055483
ZINC000002055484

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.