Vitas-M small molecule compound

1-(butylsulfonyl)-4-(4-nitrophenyl)piperazine

Catalog ID
STK496557
SMILES CCCCS(=O)(=O)N1CCN(CC1)c1ccc(cc1)[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 C14H21N3O4S MW 327.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H21N3O4S/c1-2-3-12-22(20,21)16-10-8-15(9-11-16)13-4-6-14(7-5-13)17(18)19/h4-7H,2-3,8-12H2,1H3
InChIKey
DFRHHMQBXQGTJA-UHFFFAOYSA-N
Synonyms

1(butylsulfonyl)4(4nitrophenyl)piperazine
1butylsulfonyl4(4nitrophenyl)piperazine
CCCCS(=O)(=O)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
CCCCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC14H21N3O4Sc1231222(2021)1610815(91116)134614(7513)17(18)19h47H23812H21H3
MFCD05085336
ZINC000013947174
ZINC13947174

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Available files

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