Vitas-M small molecule compound

1-(morpholin-4-yl)-3-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Catalog ID
STK612308
SMILES N#Cc1c(SCC(=O)N2CCCCC2)nc(c2c1CCCC2)N1CCOCC1

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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 C21H28N4O2S MW 400.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O2S/c22-14-18-16-6-2-3-7-17(16)20(25-10-12-27-13-11-25)23-21(18)28-15-19(26)24-8-4-1-5-9-24/h1-13,15H2
InChIKey
DZPZOJKGGZSTQN-UHFFFAOYSA-N
Synonyms
903855-48-1
1(morpholin4yl)3((2oxo2(piperidin1yl)ethyl)sulfanyl)5678tetrahydroisoquinoline4carbonitrile
1morpholin4yl3(2oxo2piperidin1ylethyl)sulfanyl5678tetrahydroisoquinoline4carbonitrile
1morpholino3((2oxo2(piperidin1yl)ethyl)thio)5678tetrahydroisoquinoline4carbonitrile
903855481
C1CCN(CC1)C(=O)CSC2=NC(=C3CCCCC3=C2C#N)N4CCOCC4
InChI=1SC21H28N4O2Sc22141816623717(16)20(25101227131125)2321(18)281519(26)248415924h11315H2
MFCD08288642
ZINC000020573784
ZINC20573784

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Available files

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