Vitas-M small molecule compound

[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](phenyl)methanone

Catalog ID
STK148980
SMILES Clc1cc(ccc1N1CCN(CC1)C(=O)c1ccccc1)[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 C17H16ClN3O3 MW 345.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClN3O3/c18-15-12-14(21(23)24)6-7-16(15)19-8-10-20(11-9-19)17(22)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKey
XLVWFHHYHJTKMW-UHFFFAOYSA-N
Synonyms
6027-84-5
(4(2CHLORO4NITROPHENYL)PIPERAZIN1YL)(PHENYL)METHANONE
(4(2CHLORO4NITROPHENYL)PIPERAZIN1YL)PHENYLMETHANONE
6027845
C1CN(CCN1C2=C(C=C(C=C2)(N+)(=O)(O))Cl)C(=O)C3=CC=CC=C3
Clc1cc(ccc1N1CCN(CC1)C(=O)c1ccccc1)(N+)(=O)(O)
InChI=1SC17H16ClN3O3c18151214(21(23)24)6716(15)1981020(11919)17(22)134213513h1712H811H2
MFCD02214034
ZINC000004687431
ZINC04687431
ZINC4687431

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Available files

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