Vitas-M small molecule compound

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

Catalog ID
STK363528
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCCC)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 C26H35NO5 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO5/c1-5-7-8-15-32-26(29)23-17(3)27-19-10-9-11-20(28)25(19)24(23)18-12-13-21(31-14-6-2)22(16-18)30-4/h12-13,16,24,27H,5-11,14-15H2,1-4H3
InChIKey
XUSXREMOXJOAHW-UHFFFAOYSA-N
Synonyms

CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCCC)OC)C(=O)CCC2)C
InChI=1SC26H35NO5c1578153226(29)2317(3)27191091120(28)25(19)24(23)18121321(311462)22(1618)304h1213162427H5111415H214H3
MFCD00753031
pentyl4(3methoxy4propoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(3methoxy4propoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002055151
ZINC000002055152

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Available files

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