Vitas-M small molecule compound

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

Catalog ID
STK603596
SMILES N#Cc1c(SCC(=O)N2CCOCC2)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 C20H26N4O3S MW 402.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O3S/c21-13-17-15-3-1-2-4-16(15)19(24-7-11-27-12-8-24)22-20(17)28-14-18(25)23-5-9-26-10-6-23/h1-12,14H2
InChIKey
CUDWEUOSNAXRJA-UHFFFAOYSA-N
Synonyms
903189-49-1
1(morpholin4yl)3((2(morpholin4yl)2oxoethyl)sulfanyl)5678tetrahydroisoquinoline4carbonitrile
1morpholin4yl3(2morpholin4yl2oxoethyl)sulfanyl5678tetrahydroisoquinoline4carbonitrile
1morpholino3((2morpholino2oxoethyl)thio)5678tetrahydroisoquinoline4carbonitrile
903189491
C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)N3CCOCC3)N4CCOCC4
InChI=1SC20H26N4O3Sc21131715312416(15)19(247112712824)2220(17)281418(25)23592610623h11214H2
MFCD08288003
ZINC000020573670
ZINC20573670

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Available files

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