Vitas-M small molecule compound

ethyl 2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK371929
SMILES CCCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCC

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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 C22H27NO4 MW 369.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO4/c1-4-13-27-18-12-7-6-9-15(18)20-19(22(25)26-5-2)14(3)23-16-10-8-11-17(24)21(16)20/h6-7,9,12,20,23H,4-5,8,10-11,13H2,1-3H3
InChIKey
SPWYVLPGBAENLZ-UHFFFAOYSA-N
Synonyms
313233-56-6
313233566
CCCOC1=CC=CC=C1C2C3=C(CCCC3=O)NC(=C2C(=O)OCC)C
ethyl2methyl5oxo4(2propoxyphenyl)145678hexahydroquinoline3carboxylate
ethyl2methyl5oxo4(2propoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
InChI=1SC22H27NO4c141327181276915(18)2019(22(25)2652)14(3)23161081117(24)21(16)20h679122023H458101113H213H3
MFCD00619624
ZINC000003901590
ZINC000003901591

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Available files

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