Vitas-M small molecule compound

N-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl}-4-fluoro-N-phenylbenzenesulfonamide

Catalog ID
STL114085
SMILES Fc1ccc(cc1)S(=O)(=O)N(c1ccccc1)CC(=O)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 C26H26FN3O5S MW 511.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26FN3O5S/c27-21-7-9-23(10-8-21)36(32,33)30(22-4-2-1-3-5-22)18-26(31)29-14-12-28(13-15-29)17-20-6-11-24-25(16-20)35-19-34-24/h1-11,16H,12-15,17-19H2
InChIKey
JIIROGQGNVBCHD-UHFFFAOYSA-N
Synonyms

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN(C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)F
InChI=1SC26H26FN3O5Sc27217923(10821)36(3233)30(224213522)1826(31)29141228(131529)17206112425(1620)35193424h11116H12151719H2
MFCD05835239
N(2(4(13benzodioxol5ylmethyl)piperazin1yl)2oxoethyl)4fluoroNphenylbenzenesulfonamide
ZINC000016400860
ZINC16400860

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Available files

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