Vitas-M small molecule compound
(5E)-1-(3,5-dimethylphenyl)-5-{3-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK176835
SMILES CCOc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=C/1\C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)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 C28H25N3O7 MW 515.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O7/c1-4-37-25-15-20(7-10-24(25)38-16-19-5-8-21(9-6-19)31(35)36)14-23-26(32)29-28(34)30(27(23)33)22-12-17(2)11-18(3)13-22/h5-15H,4,16H2,1-3H3,(H,29,32,34)/b23-14+InChIKey
VZDIHWHPCKSADL-OEAKJJBVSA-NSynonyms
(5E)1(35dimethylphenyl)5((3ethoxy4((4nitrophenyl)methoxy)phenyl)methylidene)13diazinane246trione
(5E)1(35DIMETHYLPHENYL)5(3ETHOXY4((4NITROBENZYL)OXY)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC(=C3)C)C)OCC4=CC=C(C=C4)(N+)(=O)(O)
CCOc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))C=C1C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C
InChI=1SC28H25N3O7c1437251520(71024(25)3816195821(9619)31(35)36)142326(32)2928(34)30(27(23)33)221217(2)1118(3)1322h515H416H213H3(H293234)b2314+
MFCD01610228
ZINC000009310894
ZINC9310894
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