Vitas-M small molecule compound

methyl 4-[({1-[(2-chlorobenzyl)sulfonyl]piperidin-4-yl}carbonyl)amino]benzoate

Catalog ID
STL116556
SMILES COC(=O)c1ccc(cc1)NC(=O)C1CCN(CC1)S(=O)(=O)Cc1ccccc1Cl

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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 C21H23ClN2O5S MW 450.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN2O5S/c1-29-21(26)16-6-8-18(9-7-16)23-20(25)15-10-12-24(13-11-15)30(27,28)14-17-4-2-3-5-19(17)22/h2-9,15H,10-14H2,1H3,(H,23,25)
InChIKey
SBCIYWXMTORGHZ-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3Cl
InChI=1SC21H23ClN2O5Sc12921(26)166818(9716)2320(25)15101224(131115)30(2728)1417423519(17)22h2915H1014H21H3(H2325)
methyl4(((1((2chlorobenzyl)sulfonyl)piperidin4yl)carbonyl)amino)benzoate
methyl4((1((2chlorophenyl)methylsulfonyl)piperidine4carbonyl)amino)benzoate
MFCD14823260
ZINC000024607291
ZINC24607291

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Available files

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