Vitas-M small molecule compound

4-(azepan-1-ylsulfonyl)-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline

Catalog ID
STK099243
SMILES O=S(=O)(c1ccc(cc1)/N=C/c1ccc(s1)[N+](=O)[O-])N1CCCCCC1

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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 C17H19N3O4S2 MW 393.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O4S2/c21-20(22)17-10-7-15(25-17)13-18-14-5-8-16(9-6-14)26(23,24)19-11-3-1-2-4-12-19/h5-10,13H,1-4,11-12H2/b18-13+
InChIKey
KLWOPKUHQXGYOU-QGOAFFKASA-N
Synonyms

4(azepan1ylsulfonyl)N((E)(5nitrothiophen2yl)methylidene)aniline
MFCD01596528
O=S(=O)(c1ccc(cc1)N=Cc1ccc(s1)(N+)(=O)(O))N1CCCCCC1
STK099243
ZINC000004489355

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Available files

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