Vitas-M small molecule compound
benzyl 4-(2-ethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK083744
SMILES CCOc1ccccc1C1NC(=S)NC(=C1C(=O)OCc1ccccc1)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 C21H22N2O3S MW 382.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S/c1-3-25-17-12-8-7-11-16(17)19-18(14(2)22-21(27)23-19)20(24)26-13-15-9-5-4-6-10-15/h4-12,19H,3,13H2,1-2H3,(H2,22,23,27)InChIKey
MDQPDUPVBQQWRJ-UHFFFAOYSA-NSynonyms
295344-18-2295344182
BENZYL4(2ETHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
benzyl4(2ethoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
CCOC1=CC=CC=C1C2C(=C(NC(=S)N2)C)C(=O)OCC3=CC=CC=C3
CCOc1ccccc1C1NC(=S)NC(=C1C(=O)OCc1ccccc1)C
InChI=1SC21H22N2O3Sc13251712871116(17)1918(14(2)2221(27)2319)20(24)26131595461015h41219H313H212H3(H2222327)
MFCD00354515
PHENYLMETHYL6(2ETHOXYPHENYL)4METHYL2THIOXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
STK083744
ZINC000000752194
ZINC000000752195
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