Vitas-M small molecule compound

(2-chloro-5-nitrophenyl)(4-ethylpiperazin-1-yl)methanone

Catalog ID
STK010726
SMILES CCN1CCN(CC1)C(=O)c1cc(ccc1Cl)[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 C13H16ClN3O3 MW 297.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16ClN3O3/c1-2-15-5-7-16(8-6-15)13(18)11-9-10(17(19)20)3-4-12(11)14/h3-4,9H,2,5-8H2,1H3
InChIKey
NIFHWGGCHLNHHK-UHFFFAOYSA-N
Synonyms

(2CHLORO5NITROPHENYL)(4ETHYLPIPERAZIN1YL)METHANONE
1((2CHLORO5NITROPHENYL)CARBONYL)4ETHYLPIPERAZINE
CCN1CCN(CC1)C(=O)c1cc(ccc1Cl)(N+)(=O)(O)
CCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)(N+)(=O)(O))Cl
InChI=1SC13H16ClN3O3c12155716(8615)13(18)11910(17(19)20)3412(11)14h349H258H21H3
MFCD03389552
STK010726
ZINC000000564220
ZINC564220

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Available files

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