Vitas-M small molecule compound

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2,6-dimethylphenoxy)acetamide

Catalog ID
STK725446
SMILES N#Cc1c(NC(=O)COc2c(C)cccc2C)sc2c1CCCCC2

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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/c1-13-7-6-8-14(2)19(13)24-12-18(23)22-20-16(11-21)15-9-4-3-5-10-17(15)25-20/h6-8H,3-5,9-10,12H2,1-2H3,(H,22,23)
InChIKey
DKZDVWLBBKKWFQ-UHFFFAOYSA-N
Synonyms
380567-57-7
380567577
CC1=C(C(=CC=C1)C)OCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N
InChI=1SC20H22N2O2Sc11376814(2)19(13)241218(23)222016(1121)1594351017(15)2520h68H3591012H212H3(H2223)
MFCD02988702
N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)2(26dimethylphenoxy)acetamide
ZINC000001000359
ZINC01000359
ZINC1000359

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Available files

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