Vitas-M small molecule compound

[4-(methylsulfonyl)piperazin-1-yl](3-nitrophenyl)methanone

Catalog ID
STK171120
SMILES O=C(c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)S(=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 C12H15N3O5S MW 313.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3O5S/c1-21(19,20)14-7-5-13(6-8-14)12(16)10-3-2-4-11(9-10)15(17)18/h2-4,9H,5-8H2,1H3
InChIKey
HCJDOWMWZZPTDL-UHFFFAOYSA-N
Synonyms
428842-82-4
(4(METHYLSULFONYL)PIPERAZIN1YL)(3NITROPHENYL)METHANONE
(4METHYLSULFONYLPIPERAZIN1YL)(3NITROPHENYL)METHANONE
4(METHYLSULFONYL)PIPERAZINYL3NITROPHENYLKETONE
428842824
CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC12H15N3O5Sc121(1920)147513(6814)12(16)1032411(910)15(17)18h249H58H21H3
MFCD02816763
O=C(c1cccc(c1)(N+)(=O)(O))N1CCN(CC1)S(=O)(=O)C
ZINC000000120166
ZINC00120166
ZINC120166

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Available files

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