Vitas-M small molecule compound
ethyl 4-{[4-cyano-1-(thiophen-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}-3-oxobutanoate
Catalog ID
STK166619
SMILES CCOC(=O)CC(=O)CSc1nc(c2cccs2)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 C20H20N2O3S2 MW 400.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O3S2/c1-2-25-18(24)10-13(23)12-27-20-16(11-21)14-6-3-4-7-15(14)19(22-20)17-8-5-9-26-17/h5,8-9H,2-4,6-7,10,12H2,1H3InChIKey
FSZNVOVILYVKMT-UHFFFAOYSA-NSynonyms
CCOC(=O)CC(=O)CSC1=NC(=C2CCCCC2=C1C#N)C3=CC=CS3
ethyl4((4cyano1(thiophen2yl)5678tetrahydroisoquinolin3yl)sulfanyl)3oxobutanoate
ethyl4((4cyano1thiophen2yl5678tetrahydroisoquinolin3yl)sulfanyl)3oxobutanoate
InChI=1SC20H20N2O3S2c122518(24)1013(23)12272016(1121)14634715(14)19(2220)178592617h589H24671012H21H3
MFCD04079572
ZINC000001858979
ZINC01858979
ZINC1858979
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