Vitas-M small molecule compound
(5Z)-5-[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)benzylidene]-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK010084
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)C)cc(c1OCCOc1ccccc1)Cl
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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 C28H25ClN2O6 MW 520.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN2O6/c1-3-35-24-17-19(16-23(29)25(24)37-14-13-36-21-7-5-4-6-8-21)15-22-26(32)30-28(34)31(27(22)33)20-11-9-18(2)10-12-20/h4-12,15-17H,3,13-14H2,1-2H3,(H,30,32,34)/b22-15-InChIKey
QSQIBDRXEPKRII-JCMHNJIXSA-NSynonyms
(5Z)5((3chloro5ethoxy4(2phenoxyethoxy)phenyl)methylidene)1(4methylphenyl)13diazinane246trione
(5Z)5(3CHLORO5ETHOXY4(2PHENOXYETHOXY)BENZYLIDENE)1(4METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C)Cl)OCCOC4=CC=CC=C4
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)C)cc(c1OCCOc1ccccc1)Cl
InChI=1SC28H25ClN2O6c1335241719(1623(29)25(24)37141336217546821)152226(32)3028(34)31(27(22)33)2011918(2)101220h4121517H31314H212H3(H303234)b2215
MFCD01873505
STK010084
ZINC000008959064
ZINC08959064
ZINC8959064
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