Vitas-M small molecule compound

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

Catalog ID
STK433648
SMILES CCN1CCN(CC1)C(=O)c1cc(Cl)ccc1[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(14)3-4-12(11)17(19)20/h3-4,9H,2,5-8H2,1H3
InChIKey
SYPFGXXKXKCIHW-UHFFFAOYSA-N
Synonyms

(5chloro2nitrophenyl)(4ethylpiperazin1yl)methanone
1((5CHLORO2NITROPHENYL)CARBONYL)4ETHYLPIPERAZINE
5CHLORO2NITROPHENYL4ETHYLPIPERAZINYLKETONE
CCN1CCN(CC1)C(=O)c1cc(Cl)ccc1(N+)(=O)(O)
CCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)(N+)(=O)(O)
InChI=1SC13H16ClN3O3c12155716(8615)13(18)11910(14)3412(11)17(19)20h349H258H21H3
MFCD03394341
ZINC000004903432
ZINC4903432

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Available files

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