Vitas-M small molecule compound

propyl 4-(4,5-dimethoxy-2-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK373622
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1[N+](=O)[O-])OC)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 C22H26N2O7 MW 430.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O7/c1-5-9-31-22(26)19-12(2)23-14-7-6-8-16(25)21(14)20(19)13-10-17(29-3)18(30-4)11-15(13)24(27)28/h10-11,20,23H,5-9H2,1-4H3
InChIKey
UIJBICWGAFKPPJ-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1(N+)(=O)(O))OC)C(=O)CCC2
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3(N+)(=O)(O))OC)OC)C(=O)CCC2)C
InChI=1SC22H26N2O7c1593122(26)1912(2)231476816(25)21(14)20(19)131017(293)18(304)1115(13)24(27)28h10112023H59H214H3
MFCD00787777
propyl4(45dimethoxy2nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(45dimethoxy2nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002058760
ZINC000002058761

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Available files

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