Vitas-M small molecule compound

(3-fluorophenyl)[4-(2-nitrobenzyl)piperazin-1-yl]methanone

Catalog ID
STK136477
SMILES Fc1cccc(c1)C(=O)N1CCN(CC1)Cc1ccccc1[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/c19-16-6-3-5-14(12-16)18(23)21-10-8-20(9-11-21)13-15-4-1-2-7-17(15)22(24)25/h1-7,12H,8-11,13H2
InChIKey
JODXGRITUCQNPC-UHFFFAOYSA-N
Synonyms
354535-72-1
(3FLUOROPHENYL)(4((2NITROPHENYL)METHYL)PIPERAZIN1YL)METHANONE
(3FLUOROPHENYL)(4(2NITROBENZYL)PIPERAZIN1YL)METHANONE
354535721
C1CN(CCN1CC2=CC=CC=C2(N+)(=O)(O))C(=O)C3=CC(=CC=C3)F
Fc1cccc(c1)C(=O)N1CCN(CC1)Cc1ccccc1(N+)(=O)(O)
InChI=1SC18H18FN3O3c191663514(1216)18(23)2110820(91121)1315412717(15)22(24)25h1712H81113H2
MFCD01540650
ZINC000019773594
ZINC19773594

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Available files

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