Vitas-M small molecule compound

2-{4-[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazin-1-yl}-N-(2-hydroxyethyl)-2-oxoacetamide

Catalog ID
STL233371
SMILES OCCNC(=O)C(=O)N1CCN(CC1)c1nc(CC(C)C)c2c(c1C#N)CCCC2

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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 C22H31N5O3 MW 413.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N5O3/c1-15(2)13-19-17-6-4-3-5-16(17)18(14-23)20(25-19)26-8-10-27(11-9-26)22(30)21(29)24-7-12-28/h15,28H,3-13H2,1-2H3,(H,24,29)
InChIKey
YQEWBSGMEMYYRA-UHFFFAOYSA-N
Synonyms
929847-68-7
2(4(4cyano1(2methylpropyl)5678tetrahydroisoquinolin3yl)piperazin1yl)N(2hydroxyethyl)2oxoacetamide
2(4(4cyano1isobutyl5678tetrahydroisoquinolin3yl)piperazin1yl)N(2hydroxyethyl)2oxoacetamide
929847687
CC(C)CC1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(=O)C(=O)NCCO)C#N
InChI=1SC22H31N5O3c115(2)131917643516(17)18(1423)20(2519)2681027(11926)22(30)21(29)2471228h1528H313H212H3(H2429)
MFCD09845875
ZINC000020647664
ZINC20647664

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Available files

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