Vitas-M small molecule compound

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

Catalog ID
STL028008
SMILES CCOc1ccccc1C1NC(=O)NC(=C1C(=O)OC)CN1CCN(CC1)c1ncccn1

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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 C23H28N6O4 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N6O4/c1-3-33-18-8-5-4-7-16(18)20-19(21(30)32-2)17(26-23(31)27-20)15-28-11-13-29(14-12-28)22-24-9-6-10-25-22/h4-10,20H,3,11-15H2,1-2H3,(H2,26,27,31)
InChIKey
LCDNXIYGONENDC-UHFFFAOYSA-N
Synonyms

CCOC1=CC=CC=C1C2C(=C(NC(=O)N2)CN3CCN(CC3)C4=NC=CC=N4)C(=O)OC
InChI=1SC23H28N6O4c133318854716(18)2019(21(30)322)17(2623(31)2720)1528111329(141228)222496102522h41020H31115H212H3(H2262731)
methyl4(2ethoxyphenyl)2oxo6((4(pyrimidin2yl)piperazin1yl)methyl)1234tetrahydropyrimidine5carboxylate
methyl4(2ethoxyphenyl)2oxo6((4pyrimidin2ylpiperazin1yl)methyl)34dihydro1Hpyrimidine5carboxylate
MFCD18188599
ZINC000057415775
ZINC000057415781

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Available files

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