Vitas-M small molecule compound

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

Catalog ID
STK086910
SMILES CCCOC(=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 C21H26N2O3 MW 354.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O3/c1-5-10-26-20(25)17-13(2)23-15-11-21(3,4)12-16(24)19(15)18(17)14-6-8-22-9-7-14/h6-9,18,23H,5,10-12H2,1-4H3
InChIKey
QLHWMZAMVJTKST-UHFFFAOYSA-N
Synonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1ccncc1)C(=O)CC(C2)(C)C
CCCOC(=O)C1=C(NC2=C(C1C3=CC=NC=C3)C(=O)CC(C2)(C)C)C
propyl277trimethyl5oxo4(pyridin4yl)145678hexahydroquinoline3carboxylate
propyl277trimethyl5oxo4pyridin4yl1468tetrahydroquinoline3carboxylate
Registry IDs
MFCD00770904
ZINC000019867136
ZINC000019867139

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Available files

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