Vitas-M small molecule compound

(2,4-dinitrophenyl)[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

Catalog ID
STK427680
SMILES CCOc1ccccc1N1CCN(CC1)C(=O)c1ccc(cc1[N+](=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 C19H20N4O6 MW 400.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O6/c1-2-29-18-6-4-3-5-16(18)20-9-11-21(12-10-20)19(24)15-8-7-14(22(25)26)13-17(15)23(27)28/h3-8,13H,2,9-12H2,1H3
InChIKey
TVBPHXXRXHDASK-UHFFFAOYSA-N
Synonyms

(24dinitrophenyl)(4(2ethoxyphenyl)piperazin1yl)methanone
24DINITROPHENYL4(2ETHOXYPHENYL)PIPERAZINYLKETONE
CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
CCOc1ccccc1N1CCN(CC1)C(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC19H20N4O6c122918643516(18)2091121(121020)19(24)158714(22(25)26)1317(15)23(27)28h3813H2912H21H3
MFCD01332797
ZINC000002806722
ZINC02806722
ZINC2806722

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Available files

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