Vitas-M small molecule compound

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

Catalog ID
STL027590
SMILES COC(=O)C1=C(CN2CCC(CC2)Cc2ccccc2)NC(=O)NC1c1ccccc1

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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 C25H29N3O3 MW 419.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O3/c1-31-24(29)22-21(26-25(30)27-23(22)20-10-6-3-7-11-20)17-28-14-12-19(13-15-28)16-18-8-4-2-5-9-18/h2-11,19,23H,12-17H2,1H3,(H2,26,27,30)
InChIKey
USYQTEPNQGYTFN-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CCC(CC3)CC4=CC=CC=C4
InChI=1SC25H29N3O3c13124(29)2221(2625(30)2723(22)20106371120)1728141219(131528)16188425918h2111923H1217H21H3(H2262730)
methyl6((4benzylpiperidin1yl)methyl)2oxo4phenyl1234tetrahydropyrimidine5carboxylate
methyl6((4benzylpiperidin1yl)methyl)2oxo4phenyl34dihydro1Hpyrimidine5carboxylate
MFCD18188226
ZINC000057414189
ZINC000057414192

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Available files

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