Vitas-M small molecule compound

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

Catalog ID
STL107855
SMILES CCOC(=O)C1=C(CN2CCN(CC2)c2ccccc2)NC(=O)NC1c1ccccc1OC

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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 C25H30N4O4 MW 450.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O4/c1-3-33-24(30)22-20(17-28-13-15-29(16-14-28)18-9-5-4-6-10-18)26-25(31)27-23(22)19-11-7-8-12-21(19)32-2/h4-12,23H,3,13-17H2,1-2H3,(H2,26,27,31)
InChIKey
KPXDCOMSKSCUFI-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2OC)CN3CCN(CC3)C4=CC=CC=C4
ethyl4(2methoxyphenyl)2oxo6((4phenylpiperazin1yl)methyl)1234tetrahydropyrimidine5carboxylate
ethyl4(2methoxyphenyl)2oxo6((4phenylpiperazin1yl)methyl)34dihydro1Hpyrimidine5carboxylate
InChI=1SC25H30N4O4c133324(30)2220(1728131529(161428)1895461018)2625(31)2723(22)1911781221(19)322h41223H31317H212H3(H2262731)
MFCD20741762
ZINC000067287492
ZINC000067287495

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Available files

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