Vitas-M small molecule compound

butyl 4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK371790
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)OC)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 C24H30BrNO4 MW 476.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30BrNO4/c1-6-7-10-30-23(28)20-14(2)26-17-12-24(3,4)13-18(27)22(17)21(20)15-8-9-19(29-5)16(25)11-15/h8-9,11,21,26H,6-7,10,12-13H2,1-5H3
InChIKey
DGZNJCQHLWKALD-UHFFFAOYSA-N
Synonyms

butyl4(3bromo4methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
butyl4(3bromo4methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)Br)C(=O)CC(C2)(C)C)C
InChI=1SC24H30BrNO4c167103023(28)2014(2)26171224(34)1318(27)22(17)21(20)158919(295)16(25)1115h89112126H67101213H215H3
MFCD00619412
ZINC000002066359
ZINC000002066360

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Available files

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