Vitas-M small molecule compound
ethyl 4-({4-[4-(benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-3-oxobutanoate
Catalog ID
STK543596
SMILES CCOC(=O)CC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)OCc1ccccc1
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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 C25H24N2O5S MW 464.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O5S/c1-2-31-24(30)12-19(28)16-33-25-22(14-26)21(13-23(29)27-25)18-8-10-20(11-9-18)32-15-17-6-4-3-5-7-17/h3-11,21H,2,12-13,15-16H2,1H3,(H,27,29)InChIKey
XVLQXVUFVFCMDB-UHFFFAOYSA-NSynonyms
499208-76-3499208763
CCOC(=O)CC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N
ethyl4((4(4(benzyloxy)phenyl)3cyano6oxo1456tetrahydropyridin2yl)sulfanyl)3oxobutanoate
ethyl4((4(4(benzyloxy)phenyl)3cyano6oxo1456tetrahydropyridin2yl)thio)3oxobutanoate
ETHYL4((5CYANO2OXO4(4PHENYLMETHOXYPHENYL)34DIHYDRO1HPYRIDIN6YL)SULFANYL)3OXOBUTANOATE
InChI=1SC25H24N2O5Sc123124(30)1219(28)16332522(1426)21(1323(29)2725)1881020(11918)3215176435717h31121H212131516H21H3(H2729)
MFCD03303566
ZINC000009109457
ZINC000009109458
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