Vitas-M small molecule compound
ethyl (2-{(E)-[1-(4-bromo-3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STK170905
SMILES CCOC(=O)COc1ccccc1/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)12-31-18-7-5-4-6-14(18)11-16-20(27)24-22(29)25(21(16)28)15-8-9-17(23)13(2)10-15/h4-11H,3,12H2,1-2H3,(H,24,27,29)/b16-11+InChIKey
NGNMNSDNKZOFDH-LFIBNONCSA-NSynonyms
CCOC(=O)COC1=CC=CC=C1C=C2C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)Br)C
CCOC(=O)COc1ccccc1C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)Br
ETHYL(2((E)(1(4BROMO3METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
ETHYL2(2((E)(1(4BROMO3METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETATE
InChI=1SC22H19BrN2O6c133019(26)123118754614(18)111620(27)2422(29)25(21(16)28)158917(23)13(2)1015h411H312H212H3(H242729)b1611+
MFCD02214866
ZINC000002943460
ZINC02943460
ZINC2943460
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