Vitas-M small molecule compound

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

Catalog ID
STK371673
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)ccc1OC)C(=O)CC(C2)(C)C

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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/c1-7-8-9-12-32-25(29)22-16(2)27-19-14-26(3,4)15-20(28)24(19)23(22)18-13-17(30-5)10-11-21(18)31-6/h10-11,13,23,27H,7-9,12,14-15H2,1-6H3
InChIKey
GHDFLDDQEXFYLU-UHFFFAOYSA-N
Synonyms

CCCCCOC(=O)C1=C(NC2=C(C1C3=C(C=CC(=C3)OC)OC)C(=O)CC(C2)(C)C)C
InChI=1SC26H35NO5c1789123225(29)2216(2)27191426(34)1520(28)24(19)23(22)181317(305)101121(18)316h1011132327H79121415H216H3
MFCD00327084
pentyl4(25dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(25dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000003146698
ZINC000003146699

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Available files

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