Vitas-M small molecule compound

N-(2-chlorobenzyl)-2-(4-chloro-3-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)propanamide

Catalog ID
STK704847
SMILES O=C(N(C1CCS(=O)(=O)C1)Cc1ccccc1Cl)C(Oc1ccc(c(c1)C)Cl)C

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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 C21H23Cl2NO4S MW 456.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23Cl2NO4S/c1-14-11-18(7-8-19(14)22)28-15(2)21(25)24(17-9-10-29(26,27)13-17)12-16-5-3-4-6-20(16)23/h3-8,11,15,17H,9-10,12-13H2,1-2H3
InChIKey
QUXMHXOLFPBNSU-UHFFFAOYSA-N
Synonyms
587004-74-8
(2R)N(2CHLOROBENZYL)2(4CHLORO3METHYLPHENOXY)N((3R)11DIOXIDOTETRAHYDROTHIOPHEN3YL)PROPANAMIDE
(2S)N(2CHLOROBENZYL)2(4CHLORO3METHYLPHENOXY)N((3R)11DIOXIDOTETRAHYDROTHIOPHEN3YL)PROPANAMIDE
2(4CHLORO3METHYLPHENOXY)N((2CHLOROPHENYL)METHYL)N(11DIOXOTHIOLAN3YL)PROPANAMIDE
2(4chloro3methylphenoxy)N(2chlorobenzyl)N(11dioxidotetrahydrothiophen3yl)propanamide
587004748
CC1=C(C=CC(=C1)OC(C)C(=O)N(CC2=CC=CC=C2Cl)C3CCS(=O)(=O)C3)Cl
InChI=1SC21H23Cl2NO4Sc1141118(7819(14)22)2815(2)21(25)24(1791029(2627)1317)1216534620(16)23h38111517H9101213H212H3
MFCD04032306
N(2chlorobenzyl)2(4chloro3methylphenoxy)N(11dioxidotetrahydrothiophen3yl)propanamide
ZINC000002395696
ZINC000009191034

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Available files

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