Vitas-M small molecule compound
ethyl 6-{4-[(ethoxycarbonyl)oxy]-3-methoxyphenyl}-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
Catalog ID
STK121914
SMILES CCOC(=O)Oc1ccc(cc1OC)C1NC(=NC(=C1C(=O)OCC)C)S
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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 C18H22N2O6S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O6S/c1-5-24-16(21)14-10(3)19-17(27)20-15(14)11-7-8-12(13(9-11)23-4)26-18(22)25-6-2/h7-9,15H,5-6H2,1-4H3,(H2,19,20,27)InChIKey
ZZLOGCRMHKLKPO-UHFFFAOYSA-NSynonyms
4(5(ETHOXYCARBONYL)6METHYL2SULFANYL(34DIHYDROPYRIMIDIN4YL))2METHOXYPHENYLETHOXYFORMATE
CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OC(=O)OCC)OC)C
ETHYL4(4ETHOXYCARBONYLOXY3METHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ETHYL6(4((ETHOXYCARBONYL)OXY)3METHOXYPHENYL)4METHYL2SULFANYL16DIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC18H22N2O6Sc152416(21)1410(3)1917(27)2015(14)117812(13(911)234)2618(22)2562h7915H56H214H3(H2192027)
MFCD03145497
ZINC000018094120
ZINC000018094122
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