Vitas-M small molecule compound

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

Catalog ID
STK044179
SMILES N#Cc1c(SCC(=O)N2CCOCC2)nc(c2c1CCCC2)CC

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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 C18H23N3O2S MW 345.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N3O2S/c1-2-16-14-6-4-3-5-13(14)15(11-19)18(20-16)24-12-17(22)21-7-9-23-10-8-21/h2-10,12H2,1H3
InChIKey
USRCPNIZNNVPKJ-UHFFFAOYSA-N
Synonyms
444144-02-9
1ethyl3((2(morpholin4yl)2oxoethyl)sulfanyl)5678tetrahydroisoquinoline4carbonitrile
1ethyl3(2morpholin4yl2oxoethyl)sulfanyl5678tetrahydroisoquinoline4carbonitrile
444144029
CCC1=C2CCCCC2=C(C(=N1)SCC(=O)N3CCOCC3)C#N
InChI=1SC18H23N3O2Sc121614643513(14)15(1119)18(2016)241217(22)21792310821h21012H21H3
MFCD08050806
N#Cc1c(SCC(=O)N2CCOCC2)nc(c2c1CCCC2)CC
STK044179
ZINC000009246871
ZINC09246871
ZINC9246871

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Available files

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