Vitas-M small molecule compound
methyl 2-{[4-cyano-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}butanoate
Catalog ID
STK607417
SMILES CCC(C(=O)OC)Sc1nc(N2CCOCC2)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 C19H25N3O3S MW 375.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O3S/c1-3-16(19(23)24-2)26-18-15(12-20)13-6-4-5-7-14(13)17(21-18)22-8-10-25-11-9-22/h16H,3-11H2,1-2H3InChIKey
NSTVAPHFIJXKIM-UHFFFAOYSA-NSynonyms
903863-44-5903863445
CCC(C(=O)OC)SC1=NC(=C2CCCCC2=C1C#N)N3CCOCC3
InChI=1SC19H25N3O3Sc1316(19(23)242)261815(1220)13645714(13)17(2118)228102511922h16H311H212H3
methyl2((4cyano1(morpholin4yl)5678tetrahydroisoquinolin3yl)sulfanyl)butanoate
methyl2((4cyano1morpholin4yl5678tetrahydroisoquinolin3yl)sulfanyl)butanoate
methyl2((4cyano1morpholino5678tetrahydroisoquinolin3yl)thio)butanoate
MFCD08292310
ZINC000020591180
ZINC000020591182
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