Vitas-M small molecule compound

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

Catalog ID
STL091428
SMILES CCOC(=O)C1=C(CN2CCC(CC2)Cc2ccccc2)NC(=O)NC1c1ccc(cc1)Cl

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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 C26H30ClN3O3 MW 468.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30ClN3O3/c1-2-33-25(31)23-22(28-26(32)29-24(23)20-8-10-21(27)11-9-20)17-30-14-12-19(13-15-30)16-18-6-4-3-5-7-18/h3-11,19,24H,2,12-17H2,1H3,(H2,28,29,32)
InChIKey
IHMYPKRKEWWHOR-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CN3CCC(CC3)CC4=CC=CC=C4
ethyl6((4benzylpiperidin1yl)methyl)4(4chlorophenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((4benzylpiperidin1yl)methyl)4(4chlorophenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC26H30ClN3O3c123325(31)2322(2826(32)2924(23)2081021(27)11920)1730141219(131530)16186435718h3111924H21217H21H3(H2282932)
MFCD14756998
ZINC000095100958
ZINC000095100959

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Available files

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