Vitas-M small molecule compound

6-nitro-2-oxo-1-(5-oxohexyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid

Catalog ID
STK581832
SMILES CC(=O)CCCCN1C(=O)C(Cc2c1ccc(c2)[N+](=O)[O-])C(=O)O

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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 C16H18N2O6 MW 334.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O6/c1-10(19)4-2-3-7-17-14-6-5-12(18(23)24)8-11(14)9-13(15(17)20)16(21)22/h5-6,8,13H,2-4,7,9H2,1H3,(H,21,22)
InChIKey
HXYPUXWGYKMQKV-UHFFFAOYSA-N
Synonyms
895846-78-3
6nitro2oxo1(5oxohexyl)1234tetrahydroquinoline3carboxylicacid
6nitro2oxo1(5oxohexyl)34dihydroquinoline3carboxylicacid
895846783
CC(=O)CCCCN1C(=O)C(Cc2c1ccc(c2)(N+)(=O)(O))C(=O)O
CC(=O)CCCCN1C2=C(CC(C1=O)C(=O)O)C=C(C=C2)(N+)(=O)(O)
InChI=1SC16H18N2O6c110(19)423717146512(18(23)24)811(14)913(15(17)20)16(21)22h56813H2479H21H3(H2122)
MFCD07638780
ZINC000005422480
ZINC000005422488

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Available files

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