Vitas-M small molecule compound

(2,5-dimethylphenyl)[4-(4-nitrophenyl)piperazin-1-yl]methanone

Catalog ID
STK225641
SMILES Cc1ccc(c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])C

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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 C19H21N3O3 MW 339.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O3/c1-14-3-4-15(2)18(13-14)19(23)21-11-9-20(10-12-21)16-5-7-17(8-6-16)22(24)25/h3-8,13H,9-12H2,1-2H3
InChIKey
OCSNZWIIOOUDPA-UHFFFAOYSA-N
Synonyms
701244-68-0
(25dimethylphenyl)(4(4nitrophenyl)piperazin1yl)methanone
701244680
CC1=CC(=C(C=C1)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)(N+)(=O)(O)
Cc1ccc(c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC19H21N3O3c1143415(2)18(1314)19(23)2111920(101221)165717(8616)22(24)25h3813H912H212H3
MFCD04534316
ZINC000004749647
ZINC04749647
ZINC4749647

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Available files

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