Vitas-M small molecule compound

N-(pentan-3-yl)-1,2-benzothiazol-3-amine 1,1-dioxide

Catalog ID
STK742930
SMILES CCC(NC1=NS(=O)(=O)c2c1cccc2)CC

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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 C12H16N2O2S MW 252.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N2O2S/c1-3-9(4-2)13-12-10-7-5-6-8-11(10)17(15,16)14-12/h5-9H,3-4H2,1-2H3,(H,13,14)
InChIKey
AKBUSQOJTCYPRO-UHFFFAOYSA-N
Synonyms

(11DIOXO1H1LAMBDA6BENZO(D)ISOTHIAZOL3YL)(1ETHYLPROPYL)AMINE
11DIOXONPENTAN3YL12BENZOTHIAZOL3AMINE
3((ETHYLPROPYL)AMINO)BENZO(D)12THIAZOLINE11DIONE
CCC(CC)NC1=NS(=O)(=O)C2=CC=CC=C21
InChI=1SC12H16N2O2Sc139(42)131210756811(10)17(1516)1412h59H34H212H3(H1314)
MFCD00469751
N(pentan3yl)12benzothiazol3amine11dioxide
ZINC000000040756
ZINC00040756
ZINC40756

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Available files

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