Vitas-M small molecule compound

5-nitroquinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate

Catalog ID
STK807729
SMILES O=C(c1cccc(c1)S(=O)(=O)N1CCCCCC1)Oc1ccc(c2c1nccc2)[N+](=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 C22H21N3O6S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O6S/c26-22(31-20-11-10-19(25(27)28)18-9-6-12-23-21(18)20)16-7-5-8-17(15-16)32(29,30)24-13-3-1-2-4-14-24/h5-12,15H,1-4,13-14H2
InChIKey
MSVYDDPUBHJNGH-UHFFFAOYSA-N
Synonyms
690249-52-6
(5NITROQUINOLIN8YL)3(AZEPAN1YLSULFONYL)BENZOATE
5NITRO8QUINOLYL3(AZAPERHYDROEPINYLSULFONYL)BENZOATE
5nitroquinolin8yl3(azepan1ylsulfonyl)benzoate
690249526
C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=C4C(=C(C=C3)(N+)(=O)(O))C=CC=N4
InChI=1SC22H21N3O6Sc2622(3120111019(25(27)28)1896122321(18)20)1675817(1516)32(2930)241331241424h51215H141314H2
MFCD05865795
O=C(c1cccc(c1)S(=O)(=O)N1CCCCCC1)Oc1ccc(c2c1nccc2)(N+)(=O)(O)
ZINC000002709008
ZINC02709008
ZINC2709008

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Available files

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