Vitas-M small molecule compound

octyl 6-bromo-2-(4-methylphenyl)quinoline-4-carboxylate

Catalog ID
STK269878
SMILES CCCCCCCCOC(=O)c1cc(nc2c1cc(Br)cc2)c1ccc(cc1)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 C25H28BrNO2 MW 454.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28BrNO2/c1-3-4-5-6-7-8-15-29-25(28)22-17-24(19-11-9-18(2)10-12-19)27-23-14-13-20(26)16-21(22)23/h9-14,16-17H,3-8,15H2,1-2H3
InChIKey
PYMDEFDWDAOZFY-UHFFFAOYSA-N
Synonyms
355421-14-6
355421146
CCCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)C
InChI=1SC25H28BrNO2c1345678152925(28)221724(1911918(2)101219)2723141320(26)1621(22)23h9141617H3815H212H3
MFCD02188492
octyl6bromo2(4methylphenyl)quinoline4carboxylate
OCTYL6BROMO2(PTOLYL)QUINOLINE4CARBOXYLATE
ZINC000002313170
ZINC2313170

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Available files

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