Vitas-M small molecule compound

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

Catalog ID
STL116896
SMILES COC(=O)c1ccccc1NC(=O)C1CCN(CC1)S(=O)(=O)Cc1ccc(cc1)Cl

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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)18-4-2-3-5-19(18)23-20(25)16-10-12-24(13-11-16)30(27,28)14-15-6-8-17(22)9-7-15/h2-9,16H,10-14H2,1H3,(H,23,25)
InChIKey
ZNSYFNFSXPULGH-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Cl
InChI=1SC21H23ClN2O5Sc12921(26)18423519(18)2320(25)16101224(131116)30(2728)14156817(22)9715h2916H1014H21H3(H2325)
methyl2(((1((4chlorobenzyl)sulfonyl)piperidin4yl)carbonyl)amino)benzoate
methyl2((1((4chlorophenyl)methylsulfonyl)piperidine4carbonyl)amino)benzoate
MFCD14823536
ZINC000024608713
ZINC24608713

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Available files

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