Vitas-M small molecule compound

2-methoxyethyl 2,7,7-trimethyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK372300
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1ccncc1)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 C21H26N2O4 MW 370.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O4/c1-13-17(20(25)27-10-9-26-4)18(14-5-7-22-8-6-14)19-15(23-13)11-21(2,3)12-16(19)24/h5-8,18,23H,9-12H2,1-4H3
InChIKey
ZLYSIRJICAQGDE-UHFFFAOYSA-N
Synonyms

2methoxyethyl277trimethyl5oxo4(pyridin4yl)145678hexahydroquinoline3carboxylate
2methoxyethyl277trimethyl5oxo4pyridin4yl1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=NC=C3)C(=O)OCCOC
InChI=1SC21H26N2O4c11317(20(25)27109264)18(1457228614)1915(2313)1121(23)1216(19)24h581823H912H214H3
MFCD00770946
ZINC000019790817
ZINC000019790818

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Available files

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