Vitas-M small molecule compound

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

Catalog ID
STK986922
SMILES CCOC(=O)C1=C(CN2CCN(CC2)C2CCCCC2)NC(=O)NC1c1ccc(cc1)C

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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 C25H36N4O3 MW 440.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36N4O3/c1-3-32-24(30)22-21(26-25(31)27-23(22)19-11-9-18(2)10-12-19)17-28-13-15-29(16-14-28)20-7-5-4-6-8-20/h9-12,20,23H,3-8,13-17H2,1-2H3,(H2,26,27,31)
InChIKey
CKNRQAYCIWLSPY-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)C)CN3CCN(CC3)C4CCCCC4
ethyl6((4cyclohexylpiperazin1yl)methyl)4(4methylphenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((4cyclohexylpiperazin1yl)methyl)4(4methylphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC25H36N4O3c133224(30)2221(2625(31)2723(22)1911918(2)101219)1728131529(161428)207546820h9122023H381317H212H3(H2262731)
MFCD14918259
ZINC000020560232
ZINC000020560234

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Available files

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