Vitas-M small molecule compound

N-(3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}phenyl)methanesulfonamide

Catalog ID
STL288663
SMILES O=C(c1cccc(c1)NS(=O)(=O)C)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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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 C20H23N3O5S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O5S/c1-29(25,26)21-17-4-2-3-16(12-17)20(24)23-9-7-22(8-10-23)13-15-5-6-18-19(11-15)28-14-27-18/h2-6,11-12,21H,7-10,13-14H2,1H3
InChIKey
XXJNDQQRKNUIPP-UHFFFAOYSA-N
Synonyms

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
InChI=1SC20H23N3O5Sc129(2526)211742316(1217)20(24)239722(81023)1315561819(1115)28142718h26111221H7101314H21H3
MFCD09683976
N(3((4(13benzodioxol5ylmethyl)piperazin1yl)carbonyl)phenyl)methanesulfonamide
N(3(4(13benzodioxol5ylmethyl)piperazine1carbonyl)phenyl)methanesulfonamide
ZINC000013681344
ZINC13681344

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Available files

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