Vitas-M small molecule compound
methyl 4-(3-ethoxy-4-hydroxyphenyl)-6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL107529
SMILES CCOc1cc(ccc1O)C1NC(=O)NC(=C1C(=O)OC)CN1CCN(CC1)c1ccc(cc1)F
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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 C25H29FN4O5 MW 484.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29FN4O5/c1-3-35-21-14-16(4-9-20(21)31)23-22(24(32)34-2)19(27-25(33)28-23)15-29-10-12-30(13-11-29)18-7-5-17(26)6-8-18/h4-9,14,23,31H,3,10-13,15H2,1-2H3,(H2,27,28,33)InChIKey
QDQRGJWXSCSOSK-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C(=C(NC(=O)N2)CN3CCN(CC3)C4=CC=C(C=C4)F)C(=O)OC)O
InChI=1SC25H29FN4O5c1335211416(4920(21)31)2322(24(32)342)19(2725(33)2823)1529101230(131129)187517(26)6818h49142331H3101315H212H3(H2272833)
methyl4(3ethoxy4hydroxyphenyl)6((4(4fluorophenyl)piperazin1yl)methyl)2oxo1234tetrahydropyrimidine5carboxylate
methyl4(3ethoxy4hydroxyphenyl)6((4(4fluorophenyl)piperazin1yl)methyl)2oxo34dihydro1Hpyrimidine5carboxylate
MFCD20741477
ZINC000067285739
ZINC000067285741
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