Vitas-M small molecule compound
ethyl 6-(4-nitrophenyl)-4-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]-1,4,5,6-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK292053
SMILES CCOC(=O)C1C(=O)N=C(NC1c1ccc(cc1)[N+](=O)[O-])N1CCN(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 C21H23N7O5 MW 453.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N7O5/c1-2-33-19(30)16-17(14-4-6-15(7-5-14)28(31)32)24-21(25-18(16)29)27-12-10-26(11-13-27)20-22-8-3-9-23-20/h3-9,16-17H,2,10-13H2,1H3,(H,24,25,29)InChIKey
DNEOXRZKFAPMPA-UHFFFAOYSA-NSynonyms
908497-49-4908497494
CCOC(=O)C1C(=O)N=C(NC1c1ccc(cc1)(N+)(=O)(O))N1CCN(CC1)c1ncccn1
CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=C(C=C4)(N+)(=O)(O)
ethyl4(4nitrophenyl)6oxo2(4pyrimidin2ylpiperazin1yl)45dihydro1Hpyrimidine5carboxylate
ethyl6(4nitrophenyl)4oxo2(4(pyrimidin2yl)piperazin1yl)1456tetrahydropyrimidine5carboxylate
InChI=1SC21H23N7O5c123319(30)1617(144615(7514)28(31)32)2421(2518(16)29)27121026(111327)20228392320h391617H21013H21H3(H242529)
MFCD08592705
ZINC000009530552
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