Vitas-M small molecule compound
dimethyl 1-{[5-(ethoxycarbonyl)-2-oxo-6-phenyl-1,2,3,6-tetrahydropyrimidin-4-yl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL094539
SMILES CCOC(=O)C1=C(NC(=O)NC1c1ccccc1)Cn1nnc(c1C(=O)OC)C(=O)OC
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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 C20H21N5O7 MW 443.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O7/c1-4-32-17(26)13-12(21-20(29)22-14(13)11-8-6-5-7-9-11)10-25-16(19(28)31-3)15(23-24-25)18(27)30-2/h5-9,14H,4,10H2,1-3H3,(H2,21,22,29)InChIKey
RKDHPPAKJIUEKA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3C(=C(N=N3)C(=O)OC)C(=O)OC
dimethyl1((5(ethoxycarbonyl)2oxo6phenyl1236tetrahydropyrimidin4yl)methyl)1H123triazole45dicarboxylate
DIMETHYL1((5ETHOXYCARBONYL2OXO4PHENYL34DIHYDRO1HPYRIMIDIN6YL)METHYL)TRIAZOLE45DICARBOXYLATE
InChI=1SC20H21N5O7c143217(26)1312(2120(29)2214(13)118657911)102516(19(28)313)15(232425)18(27)302h5914H410H213H3(H2212229)
MFCD14726393
ZINC000020131553
ZINC000020131556
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