Vitas-M small molecule compound

1-[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one

Catalog ID
STL286935
SMILES CCCC(=O)N1CCN(CC1)C1=NS(=O)(=O)c2c1cccc2

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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 C15H19N3O3S MW 321.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19N3O3S/c1-2-5-14(19)17-8-10-18(11-9-17)15-12-6-3-4-7-13(12)22(20,21)16-15/h3-4,6-7H,2,5,8-11H2,1H3
InChIKey
IWRJYDPMJVYVHZ-UHFFFAOYSA-N
Synonyms

1(4(11dioxido12benzothiazol3yl)piperazin1yl)butan1one
1(4(11DIOXO12BENZOTHIAZOL3YL)PIPERAZIN1YL)BUTAN1ONE
3(4BUTANOYLPIPERAZIN1YL)1
3(4BUTYRYLPIPERAZIN1YL)12BENZISOTHIAZOLE11DIOXIDE
CCCC(=O)N1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32
InChI=1SC15H19N3O3Sc12514(19)1781018(11917)1512634713(12)22(2021)1615h3467H25811H21H3
MFCD01441306
ZINC000000182259
ZINC00182259
ZINC182259

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Available files

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