Vitas-M small molecule compound
ethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-(acetylsulfanyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
Catalog ID
STK760579
SMILES CCOC(=O)C1=C(C)NC(=NC1c1ccc(c(c1)OC)OC(=O)C)SC(=O)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 C19H22N2O6S MW 406.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N2O6S/c1-6-26-18(24)16-10(2)20-19(28-12(4)23)21-17(16)13-7-8-14(27-11(3)22)15(9-13)25-5/h7-9,17H,6H2,1-5H3,(H,20,21)InChIKey
WJKKGANSDWUKQR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=NC1C2=CC(=C(C=C2)OC(=O)C)OC)SC(=O)C)C
ethyl4(4(acetyloxy)3methoxyphenyl)2(acetylsulfanyl)6methyl14dihydropyrimidine5carboxylate
ethyl4(4acetyloxy3methoxyphenyl)2acetylsulfanyl6methyl14dihydropyrimidine5carboxylate
InChI=1SC19H22N2O6Sc162618(24)1610(2)2019(2812(4)23)2117(16)137814(2711(3)22)15(913)255h7917H6H215H3(H2021)
MFCD01612822
ZINC000100079556
ZINC000100079558
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