Vitas-M small molecule compound

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

Catalog ID
STK633475
SMILES COc1ccccc1C(=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 C18H18N4O4S2 MW 418.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O4S2/c1-26-15-7-3-2-5-13(15)18(23)21-9-11-22(12-10-21)28(24,25)16-8-4-6-14-17(16)20-27-19-14/h2-8H,9-12H2,1H3
InChIKey
JSYPVDUKXBPAMU-UHFFFAOYSA-N
Synonyms
1010912-20-5
(4(213benzothiadiazol4ylsulfonyl)piperazin1yl)(2methoxyphenyl)methanone
(4(benzo(c)(125)thiadiazol4ylsulfonyl)piperazin1yl)(2methoxyphenyl)methanone
1010912205
COC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43
InChI=1SC18H18N4O4S2c12615732513(15)18(23)2191122(121021)28(2425)168461417(16)20271914h28H912H21H3
MFCD12202226
ZINC000012390700
ZINC12390700

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Available files

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