Vitas-M small molecule compound
methyl 6-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL027922
SMILES CCOc1ccc(cc1)C1NC(=O)NC(=C1C(=O)OC)CN1CCN(CC1)c1cc(Cl)ccc1C
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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 C26H31ClN4O4 MW 499.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31ClN4O4/c1-4-35-20-9-6-18(7-10-20)24-23(25(32)34-3)21(28-26(33)29-24)16-30-11-13-31(14-12-30)22-15-19(27)8-5-17(22)2/h5-10,15,24H,4,11-14,16H2,1-3H3,(H2,28,29,33)InChIKey
QBNZWHYDNDDBSU-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)C2C(=C(NC(=O)N2)CN3CCN(CC3)C4=C(C=CC(=C4)Cl)C)C(=O)OC
InChI=1SC26H31ClN4O4c1435209618(71020)2423(25(32)343)21(2826(33)2924)1630111331(141230)221519(27)8517(22)2h5101524H4111416H213H3(H2282933)
methyl6((4(5chloro2methylphenyl)piperazin1yl)methyl)4(4ethoxyphenyl)2oxo1234tetrahydropyrimidine5carboxylate
methyl6((4(5chloro2methylphenyl)piperazin1yl)methyl)4(4ethoxyphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
MFCD18188513
ZINC000067689676
ZINC000067689677
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