Vitas-M small molecule compound

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

Catalog ID
STK372445
SMILES CCCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccccc1

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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 C28H31NO5 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5/c1-4-15-33-23-14-13-20(16-24(23)32-3)26-25(28(31)34-17-19-9-6-5-7-10-19)18(2)29-21-11-8-12-22(30)27(21)26/h5-7,9-10,13-14,16,26,29H,4,8,11-12,15,17H2,1-3H3
InChIKey
NTWXEIZCCDYBPK-UHFFFAOYSA-N
Synonyms

benzyl4(3methoxy4propoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(3methoxy4propoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCCOC1=C(C=C(C=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC4=CC=CC=C4)C)OC
InChI=1SC28H31NO5c14153323141320(1624(23)323)2625(28(31)34171996571019)18(2)29211181222(30)27(21)26h579101314162629H4811121517H213H3
MFCD00753030
ZINC000004064374
ZINC000004064377

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Available files

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