Vitas-M small molecule compound
ethyl 6-(azepan-1-ylmethyl)-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK986915
SMILES CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)NC1c1ccc(cc1)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 C21H29N3O3 MW 371.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O3/c1-3-27-20(25)18-17(14-24-12-6-4-5-7-13-24)22-21(26)23-19(18)16-10-8-15(2)9-11-16/h8-11,19H,3-7,12-14H2,1-2H3,(H2,22,23,26)InChIKey
JNHJARNTWVSULG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)C)CN3CCCCCC3
ethyl6(azepan1ylmethyl)4(4methylphenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6(azepan1ylmethyl)4(4methylphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC21H29N3O3c132720(25)1817(14241264571324)2221(26)2319(18)1610815(2)91116h81119H371214H212H3(H2222326)
MFCD07155136
ZINC000020560324
ZINC000020560326
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