Vitas-M small molecule compound
ethyl (4-{(E)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STK034300
SMILES CCOC(=O)COc1ccc(cc1)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)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 C22H20N2O6 MW 408.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O6/c1-3-29-19(25)13-30-17-10-6-15(7-11-17)12-18-20(26)23-22(28)24(21(18)27)16-8-4-14(2)5-9-16/h4-12H,3,13H2,1-2H3,(H,23,26,28)/b18-12+InChIKey
DJZLDKLLKKXKPX-LDADJPATSA-NSynonyms
CCOC(=O)COC1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C
CCOC(=O)COc1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C
ETHYL(4((E)(1(4METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
ETHYL2(4((E)(1(4METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETATE
InChI=1SC22H20N2O6c132919(25)13301710615(71117)121820(26)2322(28)24(21(18)27)168414(2)5916h412H313H212H3(H232628)b1812+
MFCD02634611
STK034300
ZINC000001214009
ZINC01214009
ZINC1214009
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