Vitas-M small molecule compound

1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanone

Catalog ID
STK642987
SMILES COc1ccccc1CC(=O)N1CCN(CC1)S(=O)(=O)c1cccc2c1nsn2

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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 C19H20N4O4S2 MW 432.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O4S2/c1-27-16-7-3-2-5-14(16)13-18(24)22-9-11-23(12-10-22)29(25,26)17-8-4-6-15-19(17)21-28-20-15/h2-8H,9-13H2,1H3
InChIKey
JKNLHLVZGITGSO-UHFFFAOYSA-N
Synonyms
1010931-62-0
1(4(213benzothiadiazol4ylsulfonyl)piperazin1yl)2(2methoxyphenyl)ethanone
1(4(benzo(c)(125)thiadiazol4ylsulfonyl)piperazin1yl)2(2methoxyphenyl)ethanone
1010931620
COC1=CC=CC=C1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43
InChI=1SC19H20N4O4S2c12716732514(16)1318(24)2291123(121022)29(2526)178461519(17)21282015h28H913H21H3
MFCD12202370
ZINC000012390877
ZINC12390877

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Available files

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