Vitas-M small molecule compound

3-methyl-1-[4-(2-nitrobenzyl)piperazin-1-yl]butan-1-one

Catalog ID
STK129967
SMILES CC(CC(=O)N1CCN(CC1)Cc1ccccc1[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 C16H23N3O3 MW 305.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23N3O3/c1-13(2)11-16(20)18-9-7-17(8-10-18)12-14-5-3-4-6-15(14)19(21)22/h3-6,13H,7-12H2,1-2H3
InChIKey
YWIYJPUHMCNQTD-UHFFFAOYSA-N
Synonyms
5931-97-5
3METHYL1(4((2NITROPHENYL)METHYL)PIPERAZIN1YL)BUTAN1ONE
3METHYL1(4(2NITROBENZYL)PIPERAZIN1YL)BUTAN1ONE
CC(C)CC(=O)N1CCN(CC1)CC2=CC=CC=C2(N+)(=O)(O)
CC(CC(=O)N1CCN(CC1)Cc1ccccc1(N+)(=O)(O))C
Registry IDs
MFCD01829905
ZINC000019446479
ZINC19446479

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Available files

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