Vitas-M small molecule compound
ethyl 2-({[5-acetyl-3-cyano-6-methyl-4-(2-methylpropyl)-1,4-dihydropyridin-2-yl]sulfanyl}methyl)-5-hydroxy-1-benzofuran-3-carboxylate
Catalog ID
STK674585
SMILES CCOC(=O)c1c(CSC2=C(C#N)C(C(=C(N2)C)C(=O)C)CC(C)C)oc2c1cc(O)cc2
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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 C25H28N2O5S MW 468.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O5S/c1-6-31-25(30)23-18-10-16(29)7-8-20(18)32-21(23)12-33-24-19(11-26)17(9-13(2)3)22(15(5)28)14(4)27-24/h7-8,10,13,17,27,29H,6,9,12H2,1-5H3InChIKey
GHSRTCFEEGNAHT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CSC3=C(C(C(=C(N3)C)C(=O)C)CC(C)C)C#N
ethyl2(((5acetyl3cyano6methyl4(2methylpropyl)14dihydropyridin2yl)sulfanyl)methyl)5hydroxy1benzofuran3carboxylate
ETHYL2((5ACETYL3CYANO6METHYL4(2METHYLPROPYL)(214DIHYDROPYRIDYLTHIO))METHYL)5HYDROXYBENZO(B)FURAN3CARBOXYLATE
ETHYL2((5ACETYL3CYANO6METHYL4(2METHYLPROPYL)14DIHYDROPYRIDIN2YL)SULFANYLMETHYL)5HYDROXY1BENZOFURAN3CARBOXYLATE
InChI=1SC25H28N2O5Sc163125(30)23181016(29)7820(18)3221(23)12332419(1126)17(913(2)3)22(15(5)28)14(4)2724h781013172729H6912H215H3
MFCD03408076
ZINC000001436784
ZINC000001436785
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