Vitas-M small molecule compound
ethyl 6-{[4-(4-methylphenyl)piperazin-1-yl]methyl}-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL107658
SMILES CCOC(=O)C1=C(CN2CCN(CC2)c2ccc(cc2)C)NC(=O)NC1c1ccc(cc1)[N+](=O)[O-]
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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 C25H29N5O5 MW 479.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O5/c1-3-35-24(31)22-21(16-28-12-14-29(15-13-28)19-8-4-17(2)5-9-19)26-25(32)27-23(22)18-6-10-20(11-7-18)30(33)34/h4-11,23H,3,12-16H2,1-2H3,(H2,26,27,32)InChIKey
OTEIZQIZXIBBGM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(CN2CCN(CC2)c2ccc(cc2)C)NC(=O)NC1c1ccc(cc1)(N+)(=O)(O)
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)(N+)(=O)(O))CN3CCN(CC3)C4=CC=C(C=C4)C
ethyl6((4(4methylphenyl)piperazin1yl)methyl)4(4nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((4(4methylphenyl)piperazin1yl)methyl)4(4nitrophenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC25H29N5O5c133524(31)2221(1628121429(151328)198417(2)5919)2625(32)2723(22)1861020(11718)30(33)34h41123H31216H212H3(H2262732)
MFCD20741586
ZINC000067286431
ZINC000067286433
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