Vitas-M small molecule compound

methyl 2-hydroxy-6-[4-(methoxycarbonyl)phenyl]-5-(phenylcarbonyl)-1,6-dihydropyrimidine-4-carboxylate

Catalog ID
STK623737
SMILES COC(=O)C1=C(C(NC(=N1)O)c1ccc(cc1)C(=O)OC)C(=O)c1ccccc1

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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 C21H18N2O6 MW 394.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6/c1-28-19(25)14-10-8-12(9-11-14)16-15(18(24)13-6-4-3-5-7-13)17(20(26)29-2)23-21(27)22-16/h3-11,16H,1-2H3,(H2,22,23,27)
InChIKey
QDEHTOIIHHYFKT-UHFFFAOYSA-N
Synonyms
929825-59-2
929825592
COC(=O)C1=CC=C(C=C1)C2C(=C(NC(=O)N2)C(=O)OC)C(=O)C3=CC=CC=C3
InChI=1SC21H18N2O6c12819(25)1410812(91114)1615(18(24)136435713)17(20(26)292)2321(27)2216h31116H12H3(H2222327)
methyl2hydroxy6(4(methoxycarbonyl)phenyl)5(phenylcarbonyl)16dihydropyrimidine4carboxylate
methyl5benzoyl4(4methoxycarbonylphenyl)2oxo34dihydro1Hpyrimidine6carboxylate
MFCD09794226
ZINC000096551378
ZINC000096551379

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.