Vitas-M small molecule compound

methyl 6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-4-(4-ethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STL027886
SMILES COC(=O)C1=C(CN2CCN(CC2)c2ccccc2Cl)NC(=O)NC1c1ccc(cc1)CC

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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 C25H29ClN4O3 MW 468.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29ClN4O3/c1-3-17-8-10-18(11-9-17)23-22(24(31)33-2)20(27-25(32)28-23)16-29-12-14-30(15-13-29)21-7-5-4-6-19(21)26/h4-11,23H,3,12-16H2,1-2H3,(H2,27,28,32)
InChIKey
ASHWDIHTFQBIDK-UHFFFAOYSA-N
Synonyms

CCC1=CC=C(C=C1)C2C(=C(NC(=O)N2)CN3CCN(CC3)C4=CC=CC=C4Cl)C(=O)OC
InChI=1SC25H29ClN4O3c131781018(11917)2322(24(31)332)20(2725(32)2823)1629121430(151329)21754619(21)26h41123H31216H212H3(H2272832)
methyl6((4(2chlorophenyl)piperazin1yl)methyl)4(4ethylphenyl)2oxo1234tetrahydropyrimidine5carboxylate
methyl6((4(2chlorophenyl)piperazin1yl)methyl)4(4ethylphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
MFCD18188477
ZINC000057415257
ZINC000057415261

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Available files

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