Vitas-M small molecule compound
propyl {[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK076039
SMILES CCCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)C
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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 C18H20N2O3S MW 344.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O3S/c1-3-8-23-17(22)11-24-18-15(10-19)14(9-16(21)20-18)13-6-4-12(2)5-7-13/h4-7,14H,3,8-9,11H2,1-2H3,(H,20,21)InChIKey
SRGRIAWHGUWYIQ-UHFFFAOYSA-NSynonyms
CCCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)C
CCCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C)C#N
InChI=1SC18H20N2O3Sc1382317(22)11241815(1019)14(916(21)2018)136412(2)5713h4714H38911H212H3(H2021)
MFCD01464780
propyl((3cyano4(4methylphenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
PROPYL2((5CYANO4(4METHYLPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
STK076039
ZINC000002475437
ZINC000002475438
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