Vitas-M small molecule compound
butyl {[4-(3-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK838098
SMILES CCCCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1cccc(c1)Cl
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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 C18H19ClN2O3S MW 378.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN2O3S/c1-2-3-7-24-17(23)11-25-18-15(10-20)14(9-16(22)21-18)12-5-4-6-13(19)8-12/h4-6,8,14H,2-3,7,9,11H2,1H3,(H,21,22)InChIKey
LLINNVFGSWNVID-UHFFFAOYSA-NSynonyms
butyl((4(3chlorophenyl)3cyano6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
butyl2((4(3chlorophenyl)3cyano6oxo1456tetrahydropyridin2yl)thio)acetate
BUTYL2((4(3CHLOROPHENYL)5CYANO2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
CCCCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC(=CC=C2)Cl)C#N
InChI=1SC18H19ClN2O3Sc12372417(23)11251815(1020)14(916(22)2118)1254613(19)812h46814H237911H21H3(H2122)
MFCD02236210
ZINC000009110563
ZINC000009110564
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