Vitas-M small molecule compound

N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(4-methoxyphenyl)acetamide

Catalog ID
STK429257
SMILES COc1ccc(cc1)CC(=O)Nc1sc2c(c1C#N)CCCCCC2

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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 C20H22N2O2S MW 354.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O2S/c1-24-15-10-8-14(9-11-15)12-19(23)22-20-17(13-21)16-6-4-2-3-5-7-18(16)25-20/h8-11H,2-7,12H2,1H3,(H,22,23)
InChIKey
RPDOFJHFVQSTEK-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)CC(=O)NC2=C(C3=C(S2)CCCCCC3)C#N
InChI=1SC20H22N2O2Sc1241510814(91115)1219(23)222017(1321)1664235718(16)2520h811H2712H21H3(H2223)
MFCD01351366
N(3cyano456789hexahydrocycloocta(b)thiophen2yl)2(4methoxyphenyl)acetamide
ZINC000002740685
ZINC02740685
ZINC2740685

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Available files

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