Vitas-M small molecule compound

{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

Catalog ID
STL175050
SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc2c(s1)CCCC2

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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 C20H24N2O3S2 MW 404.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O3S2/c1-15-6-8-17(9-7-15)27(24,25)22-12-10-21(11-13-22)20(23)19-14-16-4-2-3-5-18(16)26-19/h6-9,14H,2-5,10-13H2,1H3
InChIKey
KEJSMMOPNJYGCY-UHFFFAOYSA-N
Synonyms
849824-11-9
(4((4methylphenyl)sulfonyl)piperazin1yl)(4567tetrahydro1benzothiophen2yl)methanone
(4(4methylphenyl)sulfonylpiperazin1yl)(4567tetrahydro1benzothiophen2yl)methanone
849824119
CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(S3)CCCC4
InChI=1SC20H24N2O3S2c1156817(9715)27(2425)22121021(111322)20(23)191416423518(16)2619h6914H251013H21H3
MFCD07263045
ZINC000003532898
ZINC03532898
ZINC3532898

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Available files

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