Vitas-M small molecule compound

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

Catalog ID
STK723877
SMILES O=C(N1CCN(CC1)C1=NS(=O)(=O)c2c1cccc2)C(C)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 C15H19N3O3S MW 321.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19N3O3S/c1-11(2)15(19)18-9-7-17(8-10-18)14-12-5-3-4-6-13(12)22(20,21)16-14/h3-6,11H,7-10H2,1-2H3
InChIKey
RLIMVZZFYTWIKH-UHFFFAOYSA-N
Synonyms

1(4(11dioxido12benzothiazol3yl)piperazin1yl)2methylpropan1one
1(4(11DIOXO12BENZOTHIAZOL3YL)PIPERAZIN1YL)2METHYLPROPAN1ONE
3(4ISOBUTYRYL1PIPERAZINYL)12BENZISOTHIAZOLE11DIOXIDE
CC(C)C(=O)N1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32
InChI=1SC15H19N3O3Sc111(2)15(19)189717(81018)1412534613(12)22(2021)1614h3611H710H212H3
MFCD01439884
ZINC000000052525
ZINC00052525
ZINC52525

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Available files

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