Vitas-M small molecule compound

1-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]ethanone

Catalog ID
STK736342
SMILES CC(=O)N1CCN(CC1)c1ccc(cc1C)[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 C13H17N3O3 MW 263.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O3/c1-10-9-12(16(18)19)3-4-13(10)15-7-5-14(6-8-15)11(2)17/h3-4,9H,5-8H2,1-2H3
InChIKey
FERROHDBOLXRKT-UHFFFAOYSA-N
Synonyms
862685-95-8
1(4(2methyl4nitrophenyl)piperazin1yl)ethanone
1ACETYL4(2METHYL4NITROPHENYL)PIPERAZINE
862685958
CC(=O)N1CCN(CC1)c1ccc(cc1C)(N+)(=O)(O)
CC1=C(C=CC(=C1)(N+)(=O)(O))N2CCN(CC2)C(=O)C
InChI=1SC13H17N3O3c110912(16(18)19)3413(10)157514(6815)11(2)17h349H58H212H3
MFCD07022075
PIPERAZINE1ACETYL4(2METHYL4NITROPHENYL)
ZINC000004708915
ZINC04708915
ZINC4708915

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Available files

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