Vitas-M small molecule compound

ethyl 6-[(4-benzylpiperidin-1-yl)methyl]-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STL028015
SMILES CCOC(=O)C1=C(CN2CCC(CC2)Cc2ccccc2)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 C28H35N3O4 MW 477.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O4/c1-3-34-24-13-9-8-12-22(24)26-25(27(32)35-4-2)23(29-28(33)30-26)19-31-16-14-21(15-17-31)18-20-10-6-5-7-11-20/h5-13,21,26H,3-4,14-19H2,1-2H3,(H2,29,30,33)
InChIKey
JYDIHOGESQMDHU-UHFFFAOYSA-N
Synonyms

CCOC1=CC=CC=C1C2C(=C(NC(=O)N2)CN3CCC(CC3)CC4=CC=CC=C4)C(=O)OCC
ethyl6((4benzylpiperidin1yl)methyl)4(2ethoxyphenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((4benzylpiperidin1yl)methyl)4(2ethoxyphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC28H35N3O4c13342413981222(24)2625(27(32)3542)23(2928(33)3026)1931161421(151731)1820106571120h5132126H341419H212H3(H2293033)
MFCD18188606
ZINC000057415811
ZINC000057415813

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Available files

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