Vitas-M small molecule compound

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

Catalog ID
STK372589
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)OC)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 C23H29NO4 MW 383.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO4/c1-4-5-6-13-28-23(26)20-15(2)24-18-11-8-12-19(25)22(18)21(20)16-9-7-10-17(14-16)27-3/h7,9-10,14,21,24H,4-6,8,11-13H2,1-3H3
InChIKey
RDMOAHZNNKLCMP-UHFFFAOYSA-N
Synonyms

CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)OC)C(=O)CCC2)C
InChI=1SC23H29NO4c1456132823(26)2015(2)24181181219(25)22(18)21(20)16971017(1416)273h7910142124H4681113H213H3
MFCD00753217
pentyl4(3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002055323
ZINC000002055324

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Available files

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