Vitas-M small molecule compound
methyl 6-{[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl}-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL107522
SMILES CCOc1cc(ccc1O)C1NC(=O)NC(=C1C(=O)OC)CN1CCN(CC1)c1cccc(c1C)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 C27H34N4O5 MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N4O5/c1-5-36-23-15-19(9-10-22(23)32)25-24(26(33)35-4)20(28-27(34)29-25)16-30-11-13-31(14-12-30)21-8-6-7-17(2)18(21)3/h6-10,15,25,32H,5,11-14,16H2,1-4H3,(H2,28,29,34)InChIKey
KVGNRDBEJMWMQX-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C(=C(NC(=O)N2)CN3CCN(CC3)C4=CC=CC(=C4C)C)C(=O)OC)O
InChI=1SC27H34N4O5c1536231519(91022(23)32)2524(26(33)354)20(2827(34)2925)1630111331(141230)2186717(2)18(21)3h610152532H5111416H214H3(H2282934)
methyl6((4(23dimethylphenyl)piperazin1yl)methyl)4(3ethoxy4hydroxyphenyl)2oxo1234tetrahydropyrimidine5carboxylate
methyl6((4(23dimethylphenyl)piperazin1yl)methyl)4(3ethoxy4hydroxyphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
MFCD20741470
ZINC000067285700
ZINC000067285702
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