Vitas-M small molecule compound

methyl 4-[({1-[(4-chlorobenzyl)sulfonyl]piperidin-3-yl}carbonyl)amino]benzoate

Catalog ID
STL385047
SMILES COC(=O)c1ccc(cc1)NC(=O)C1CCCN(C1)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)16-6-10-19(11-7-16)23-20(25)17-3-2-12-24(13-17)30(27,28)14-15-4-8-18(22)9-5-15/h4-11,17H,2-3,12-14H2,1H3,(H,23,25)
InChIKey
VGBLDEPYNCQUPM-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CC3=CC=C(C=C3)Cl
InChI=1SC21H23ClN2O5Sc12921(26)1661019(11716)2320(25)17321224(1317)30(2728)14154818(22)9515h41117H231214H21H3(H2325)
methyl4(((1((4chlorobenzyl)sulfonyl)piperidin3yl)carbonyl)amino)benzoate
methyl4((1((4chlorophenyl)methylsulfonyl)piperidine3carbonyl)amino)benzoate
MFCD27216510
ZINC000019860770
ZINC000019860771

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Available files

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