Vitas-M small molecule compound

1-[3-methyl-5-(nitromethyl)-2-phenylpyrazolidin-1-yl]ethanone

Catalog ID
STK030023
SMILES [O-][N+](=O)CC1CC(N(N1C(=O)C)c1ccccc1)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 C13H17N3O3 MW 263.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O3/c1-10-8-13(9-14(18)19)16(11(2)17)15(10)12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3
InChIKey
DCQAFYPIDRLVIK-UHFFFAOYSA-N
Synonyms
461409-48-3
(O)(N+)(=O)CC1CC(N(N1C(=O)C)c1ccccc1)C
1(3METHYL5(NITROMETHYL)2PHENYLPYRAZOLIDIN1YL)ETHANONE
461409483
CC1CC(N(N1C2=CC=CC=C2)C(=O)C)C(N+)(=O)(O)
InChI=1SC13H17N3O3c110813(914(18)19)16(11(2)17)15(10)126435712h371013H89H212H3
MFCD03196440
STK030023
ZINC000004603358
ZINC000004603362

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Available files

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