Vitas-M small molecule compound

methyl 3-(azepan-1-ylcarbonyl)-5-nitrobenzoate

Catalog ID
STK014159
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCCCCC1

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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 C15H18N2O5 MW 306.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N2O5/c1-22-15(19)12-8-11(9-13(10-12)17(20)21)14(18)16-6-4-2-3-5-7-16/h8-10H,2-7H2,1H3
InChIKey
RRJAGBMMRKXCEB-UHFFFAOYSA-N
Synonyms
329931-98-8
329931988
COC(=O)C1=CC(=CC(=C1)C(=O)N2CCCCCC2)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)N1CCCCCC1
InChI=1SC15H18N2O5c12215(19)12811(913(1012)17(20)21)14(18)1664235716h810H27H21H3
METHYL3(AZAPERHYDROEPINYLCARBONYL)5NITROBENZOATE
METHYL3(AZEPAN1YLCARBONYL)5NITROBENZOATE
METHYL3(AZEPANE1CARBONYL)5NITROBENZOATE
MFCD01196954
STK014159
ZINC000000060833
ZINC00060833
ZINC60833

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Available files

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