Vitas-M small molecule compound

2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitrobenzoate

Catalog ID
STK870241
SMILES COc1ccccc1N1CCN(CC1)c1ccc(cc1C(=O)[O-])[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 C18H18N3O5 MW 356.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O5/c1-26-17-5-3-2-4-16(17)20-10-8-19(9-11-20)15-7-6-13(21(24)25)12-14(15)18(22)23/h2-7,12H,8-11H2,1H3,(H,22,23)/p-1
InChIKey
JFFYHMXFECZUKA-UHFFFAOYSA-M
Synonyms

2(4(2methoxyphenyl)piperazin1yl)5nitrobenzoate
2(4(2METHOXYPHENYL)PIPERAZINYL)5NITROBENZOICACID
COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)(N+)(=O)(O))C(=O)(O)
COc1ccccc1N1CCN(CC1)c1ccc(cc1C(=O)(O))(N+)(=O)(O)
InChI=1SC18H19N3O5c12617532416(17)2010819(91120)157613(21(24)25)1214(15)18(22)23h2712H811H21H3(H2223)p1
ZINC000004182108
ZINC04182108

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Available files

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