Vitas-M small molecule compound

methyl 5-({[1-(benzylsulfonyl)piperidin-4-yl]carbonyl}amino)-2-chlorobenzoate

Catalog ID
STL114934
SMILES COC(=O)c1cc(ccc1Cl)NC(=O)C1CCN(CC1)S(=O)(=O)Cc1ccccc1

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

COC(=O)C1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)Cl
InChI=1SC21H23ClN2O5Sc12921(26)181317(7819(18)22)2320(25)1691124(121016)30(2728)14155324615h281316H91214H21H3(H2325)
methyl5(((1(benzylsulfonyl)piperidin4yl)carbonyl)amino)2chlorobenzoate
methyl5((1benzylsulfonylpiperidine4carbonyl)amino)2chlorobenzoate
MFCD14822615
ZINC000019867594
ZINC19867594

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Available files

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