Vitas-M small molecule compound
ethyl 4-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-3-oxobutanoate
Catalog ID
STL323287
SMILES CCOC(=O)CC(=O)CSc1nc(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 C17H20N2O3S MW 332.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O3S/c1-3-22-16(21)8-12(20)10-23-17-15(9-18)14-7-5-4-6-13(14)11(2)19-17/h3-8,10H2,1-2H3InChIKey
FCASTTPKMQWEGP-UHFFFAOYSA-NSynonyms
317844-85-2317844852
CCOC(=O)CC(=O)CSC1=NC(=C2CCCCC2=C1C#N)C
ethyl4((4cyano1methyl5678tetrahydroisoquinolin3yl)sulfanyl)3oxobutanoate
ethyl4((4cyano1methyl5678tetrahydroisoquinolin3yl)thio)3oxobutanoate
InChI=1SC17H20N2O3Sc132216(21)812(20)10231715(918)14754613(14)11(2)1917h3810H212H3
MFCD00854589
ZINC000004733888
ZINC04733888
ZINC4733888
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