Vitas-M small molecule compound
ethyl (2-bromo-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STK170679
SMILES CCOC(=O)COc1ccc(cc1Br)/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 C23H21BrN2O6 MW 501.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN2O6/c1-4-31-20(27)12-32-19-6-5-15(11-18(19)24)10-17-21(28)25-23(30)26(22(17)29)16-8-13(2)7-14(3)9-16/h5-11H,4,12H2,1-3H3,(H,25,28,30)/b17-10+InChIKey
JQJWWDSHZOQCHD-LICLKQGHSA-NSynonyms
CCOC(=O)COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC(=C3)C)C)Br
CCOC(=O)COc1ccc(cc1Br)C=C1C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C
ETHYL(2BROMO4((E)(1(35DIMETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
ETHYL2(2BROMO4((E)(1(35DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETATE
InChI=1SC23H21BrN2O6c143120(27)1232196515(1118(19)24)101721(28)2523(30)26(22(17)29)16813(2)714(3)916h511H412H213H3(H252830)b1710+
MFCD02215096
ZINC000001213927
ZINC01213927
ZINC1213927
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