Vitas-M small molecule compound

ethyl 4-[4-(dimethylamino)phenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK363692
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)N(C)C)C(=O)CC(C2)c1ccc(cc1)OC

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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 C28H32N2O4 MW 460.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O4/c1-6-34-28(32)25-17(2)29-23-15-20(18-9-13-22(33-5)14-10-18)16-24(31)27(23)26(25)19-7-11-21(12-8-19)30(3)4/h7-14,20,26,29H,6,15-16H2,1-5H3
InChIKey
XENANUDUQJYNDX-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)N(C)C)C(=O)CC(C2)C4=CC=C(C=C4)OC)C
ethyl4(4(dimethylamino)phenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4(dimethylamino)phenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H32N2O4c163428(32)2517(2)29231520(1891322(335)141018)1624(31)27(23)26(25)1971121(12819)30(3)4h714202629H61516H215H3
MFCD01529831
ZINC000019762221
ZINC000019762231

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Available files

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