Vitas-M small molecule compound
benzyl 4-(4-ethylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK812946
SMILES CCc1ccc(cc1)C1NC(=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 C21H22N2O2S MW 366.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O2S/c1-3-15-9-11-17(12-10-15)19-18(14(2)22-21(26)23-19)20(24)25-13-16-7-5-4-6-8-16/h4-12,19H,3,13H2,1-2H3,(H2,22,23,26)InChIKey
ATDKZSZUVFRBPX-UHFFFAOYSA-NSynonyms
BENZYL4(4ETHYLPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
benzyl4(4ethylphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
CCC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC3=CC=CC=C3
InChI=1SC21H22N2O2Sc131591117(121015)1918(14(2)2221(26)2319)20(24)2513167546816h41219H313H212H3(H2222326)
MFCD03132730
ZINC000006791728
ZINC000006791748
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