Vitas-M small molecule compound
ethyl 6-(azepan-1-ylmethyl)-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL107726
SMILES CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)NC1c1ccccc1OCC
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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/c1-3-28-18-12-8-7-11-16(18)20-19(21(26)29-4-2)17(23-22(27)24-20)15-25-13-9-5-6-10-14-25/h7-8,11-12,20H,3-6,9-10,13-15H2,1-2H3,(H2,23,24,27)InChIKey
HMGYCUSVVGLUCD-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1C2C(=C(NC(=O)N2)CN3CCCCCC3)C(=O)OCC
ethyl6(azepan1ylmethyl)4(2ethoxyphenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6(azepan1ylmethyl)4(2ethoxyphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC22H31N3O4c13281812871116(18)2019(21(26)2942)17(2322(27)2420)152513956101425h78111220H369101315H212H3(H2232427)
MFCD20741654
ZINC000067286819
ZINC000067286821
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