Vitas-M small molecule compound

(3-fluorophenyl)[4-(3-nitrobenzyl)piperazin-1-yl]methanone

Catalog ID
STK138810
SMILES Fc1cccc(c1)C(=O)N1CCN(CC1)Cc1cccc(c1)[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 C18H18FN3O3 MW 343.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18FN3O3/c19-16-5-2-4-15(12-16)18(23)21-9-7-20(8-10-21)13-14-3-1-6-17(11-14)22(24)25/h1-6,11-12H,7-10,13H2
InChIKey
AETKLSJCHVSZJZ-UHFFFAOYSA-N
Synonyms
355392-88-0
(3FLUOROPHENYL)(4((3NITROPHENYL)METHYL)PIPERAZIN1YL)METHANONE
(3FLUOROPHENYL)(4(3NITROBENZYL)PIPERAZIN1YL)METHANONE
355392880
C1CN(CCN1CC2=CC(=CC=C2)(N+)(=O)(O))C(=O)C3=CC(=CC=C3)F
Fc1cccc(c1)C(=O)N1CCN(CC1)Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC18H18FN3O3c191652415(1216)18(23)219720(81021)131431617(1114)22(24)25h161112H71013H2
MFCD01816459
ZINC000019773418
ZINC19773418

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Available files

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