Vitas-M small molecule compound
methyl 4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-6-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL107531
SMILES CCOc1cc(ccc1O)C1NC(=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 C23H28N6O5 MW 468.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N6O5/c1-3-34-18-13-15(5-6-17(18)30)20-19(21(31)33-2)16(26-23(32)27-20)14-28-9-11-29(12-10-28)22-24-7-4-8-25-22/h4-8,13,20,30H,3,9-12,14H2,1-2H3,(H2,26,27,32)InChIKey
KAOXJAXXGNMAJG-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C(=C(NC(=O)N2)CN3CCN(CC3)C4=NC=CC=N4)C(=O)OC)O
InChI=1SC23H28N6O5c1334181315(5617(18)30)2019(21(31)332)16(2623(32)2720)142891129(121028)22247482522h48132030H391214H212H3(H2262732)
methyl4(3ethoxy4hydroxyphenyl)2oxo6((4(pyrimidin2yl)piperazin1yl)methyl)1234tetrahydropyrimidine5carboxylate
methyl4(3ethoxy4hydroxyphenyl)2oxo6((4pyrimidin2ylpiperazin1yl)methyl)34dihydro1Hpyrimidine5carboxylate
MFCD20741479
ZINC000067285750
ZINC000067285752
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