Vitas-M small molecule compound
ethyl 6-(azepan-1-ylmethyl)-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL107885
SMILES CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)NC1c1ccc(cc1)OCC
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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 C22H31N3O4 MW 401.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N3O4/c1-3-28-17-11-9-16(10-12-17)20-19(21(26)29-4-2)18(23-22(27)24-20)15-25-13-7-5-6-8-14-25/h9-12,20H,3-8,13-15H2,1-2H3,(H2,23,24,27)InChIKey
BTDQWHMJDZIARB-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)C2C(=C(NC(=O)N2)CN3CCCCCC3)C(=O)OCC
ethyl6(azepan1ylmethyl)4(4ethoxyphenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6(azepan1ylmethyl)4(4ethoxyphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC22H31N3O4c13281711916(101217)2019(21(26)2942)18(2322(27)2420)15251375681425h91220H381315H212H3(H2232427)
MFCD20741791
ZINC000067287673
ZINC000067287676
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