Vitas-M small molecule compound

2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(3-methoxybenzyl)acetamide

Catalog ID
STK908732
SMILES COc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)COc1cc(C)c(c(c1)C)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 C22H26ClNO5S MW 451.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26ClNO5S/c1-15-9-20(10-16(2)22(15)23)29-13-21(25)24(18-7-8-30(26,27)14-18)12-17-5-4-6-19(11-17)28-3/h4-6,9-11,18H,7-8,12-14H2,1-3H3
InChIKey
HJBMTADDCQYDLX-UHFFFAOYSA-N
Synonyms

2(4chloro35dimethylphenoxy)N(11dioxidotetrahydrothiophen3yl)N(3methoxybenzyl)acetamide
2(4chloro35dimethylphenoxy)N(11dioxothiolan3yl)N((3methoxyphenyl)methyl)acetamide
CC1=CC(=CC(=C1Cl)C)OCC(=O)N(CC2=CC(=CC=C2)OC)C3CCS(=O)(=O)C3
InChI=1SC22H26ClNO5Sc115920(1016(2)22(15)23)291321(25)24(187830(2627)1418)121754619(1117)283h4691118H781214H213H3
MFCD06648025
ZINC000016752974
ZINC000016752978

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Available files

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