Vitas-M small molecule compound

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

Catalog ID
STK986930
SMILES CCOC(=O)C1=C(CN2CCN(CC2)c2ccccc2F)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 C25H29FN4O3 MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29FN4O3/c1-3-33-24(31)22-20(27-25(32)28-23(22)18-10-8-17(2)9-11-18)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
WASOHGDVHZYMHZ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)C)CN3CCN(CC3)C4=CC=CC=C4F
ethyl6((4(2fluorophenyl)piperazin1yl)methyl)4(4methylphenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((4(2fluorophenyl)piperazin1yl)methyl)4(4methylphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC25H29FN4O3c133324(31)2220(2725(32)2823(22)1810817(2)91118)1629121430(151329)21754619(21)26h41123H31216H212H3(H2272832)
MFCD14918273
ZINC000020560296
ZINC000020560298

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Available files

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