Vitas-M small molecule compound

methyl 3-[({1-[(2-chlorobenzyl)sulfonyl]piperidin-4-yl}carbonyl)amino]-2-methylbenzoate

Catalog ID
STL116558
SMILES COC(=O)c1cccc(c1C)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 C22H25ClN2O5S MW 464.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25ClN2O5S/c1-15-18(22(27)30-2)7-5-9-20(15)24-21(26)16-10-12-25(13-11-16)31(28,29)14-17-6-3-4-8-19(17)23/h3-9,16H,10-14H2,1-2H3,(H,24,26)
InChIKey
ZAEMOPOTBSYHDQ-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3Cl)C(=O)OC
InChI=1SC22H25ClN2O5Sc11518(22(27)302)75920(15)2421(26)16101225(131116)31(2829)1417634819(17)23h3916H1014H212H3(H2426)
methyl3(((1((2chlorobenzyl)sulfonyl)piperidin4yl)carbonyl)amino)2methylbenzoate
methyl3((1((2chlorophenyl)methylsulfonyl)piperidine4carbonyl)amino)2methylbenzoate
MFCD14823324
ZINC000024607298
ZINC24607298

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Available files

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