Vitas-M small molecule compound

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

Catalog ID
STK090681
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)Oc1ccccc1)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 C26H27NO4 MW 417.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO4/c1-3-15-30-26(29)23-17(2)27-21-13-8-14-22(28)25(21)24(23)18-9-7-12-20(16-18)31-19-10-5-4-6-11-19/h4-7,9-12,16,24,27H,3,8,13-15H2,1-2H3
InChIKey
OUTCKCXNICFCNE-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)Oc1ccccc1)C(=O)CCC2
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)CCC2)C
InChI=1SC26H27NO4c13153026(29)2317(2)27211381422(28)25(21)24(23)18971220(1618)3119105461119h47912162427H381315H212H3
MFCD02188034
propyl2methyl5oxo4(3phenoxyphenyl)145678hexahydroquinoline3carboxylate
propyl2methyl5oxo4(3phenoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
STK090681
ZINC000002190443
ZINC000002190444
ZINC02190444

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Available files

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