Vitas-M small molecule compound
ethyl 6-[(4-acetylpiperazin-1-yl)methyl]-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL107636
SMILES CCOC(=O)C1=C(CN2CCN(CC2)C(=O)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 C20H25N5O6 MW 431.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O6/c1-3-31-19(27)17-16(12-23-8-10-24(11-9-23)13(2)26)21-20(28)22-18(17)14-4-6-15(7-5-14)25(29)30/h4-7,18H,3,8-12H2,1-2H3,(H2,21,22,28)InChIKey
RYUZVGLCSNUSLE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(CN2CCN(CC2)C(=O)C)NC(=O)NC1c1ccc(cc1)(N+)(=O)(O)
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)(N+)(=O)(O))CN3CCN(CC3)C(=O)C
ethyl6((4acetylpiperazin1yl)methyl)4(4nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((4acetylpiperazin1yl)methyl)4(4nitrophenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC20H25N5O6c133119(27)1716(122381024(11923)13(2)26)2120(28)2218(17)144615(7514)25(29)30h4718H3812H212H3(H2212228)
MFCD20741565
ZINC000067286315
ZINC000067286318
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