Vitas-M small molecule compound

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

Catalog ID
STK406524
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)C)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 C22H26BrNO3 MW 432.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26BrNO3/c1-6-27-21(26)18-13(3)24-16-10-22(4,5)11-17(25)20(16)19(18)14-8-7-12(2)15(23)9-14/h7-9,19,24H,6,10-11H2,1-5H3
InChIKey
HHTFZOFDEAJGJR-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)C)Br)C(=O)CC(C2)(C)C)C
ethyl4(3bromo4methylphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3bromo4methylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC22H26BrNO3c162721(26)1813(3)24161022(45)1117(25)20(16)19(18)148712(2)15(23)914h791924H61011H215H3
MFCD06000120
ZINC000001074289
ZINC000001074296

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Available files

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