Vitas-M small molecule compound

N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-2-(3-methylphenoxy)acetamide

Catalog ID
STK516702
SMILES CCc1ccc(cc1)CN(C1CCS(=O)(=O)C1)C(=O)COc1cccc(c1)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 C22H27NO4S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO4S/c1-3-18-7-9-19(10-8-18)14-23(20-11-12-28(25,26)16-20)22(24)15-27-21-6-4-5-17(2)13-21/h4-10,13,20H,3,11-12,14-16H2,1-2H3
InChIKey
MKAJETBRIUZIHR-UHFFFAOYSA-N
Synonyms
578760-58-4
578760584
CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)COC3=CC=CC(=C3)C
InChI=1SC22H27NO4Sc13187919(10818)1423(20111228(2526)1620)22(24)15272164517(2)1321h4101320H311121416H212H3
MFCD04025384
N(11dioxidotetrahydrothiophen3yl)N(4ethylbenzyl)2(3methylphenoxy)acetamide
N(11dioxidotetrahydrothiophen3yl)N(4ethylbenzyl)2(mtolyloxy)acetamide
N(11DIOXOTHIOLAN3YL)N((4ETHYLPHENYL)METHYL)2(3METHYLPHENOXY)ACETAMIDE
ZINC000005085302
ZINC000005085323

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Available files

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