Vitas-M small molecule compound

2,6-dimethyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)piperidine-1-carbothioamide

Catalog ID
STK443064
SMILES CC1CCCC(N1C(=S)Nc1ccc2c(c1)oc(=O)cc2C)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 C18H22N2O2S MW 330.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O2S/c1-11-9-17(21)22-16-10-14(7-8-15(11)16)19-18(23)20-12(2)5-4-6-13(20)3/h7-10,12-13H,4-6H2,1-3H3,(H,19,23)
InChIKey
CEIOOOQFRWKQHS-UHFFFAOYSA-N
Synonyms

26dimethylN(4methyl2oxo2Hchromen7yl)piperidine1carbothioamide
26dimethylN(4methyl2oxochromen7yl)piperidine1carbothioamide
7(((26DIMETHYLPIPERIDYL)THIOXOMETHYL)AMINO)4METHYLCHROMEN2ONE
CC1CCCC(N1C(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C)C
InChI=1SC18H22N2O2Sc111917(21)22161014(7815(11)16)1918(23)2012(2)54613(20)3h7101213H46H213H3(H1923)
MFCD04054585
ZINC000006399708
ZINC000013081303

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Available files

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