Vitas-M small molecule compound
ethyl (4-{(E)-[1-(4-bromo-3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STK175207
SMILES CCOC(=O)COc1ccc(cc1)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)Br
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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 C22H19BrN2O6 MW 487.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN2O6/c1-3-30-19(26)12-31-16-7-4-14(5-8-16)11-17-20(27)24-22(29)25(21(17)28)15-6-9-18(23)13(2)10-15/h4-11H,3,12H2,1-2H3,(H,24,27,29)/b17-11+InChIKey
LFEQFZALMRORAT-GZTJUZNOSA-NSynonyms
6064-61-56064615
CCOC(=O)COC1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)Br)C
CCOC(=O)COc1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)Br
ETHYL(4((E)(1(4BROMO3METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
ETHYL2(4((E)(1(4BROMO3METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETATE
InChI=1SC22H19BrN2O6c133019(26)1231167414(5816)111720(27)2422(29)25(21(17)28)156918(23)13(2)1015h411H312H212H3(H242729)b1711+
MFCD02634582
ZINC000002944547
ZINC02944547
ZINC2944547
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