Vitas-M small molecule compound
(5E)-1-(4-bromo-3-methylphenyl)-5-(2,4-diethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170899
SMILES CCOc1cc(OCC)ccc1/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 C22H21BrN2O5 MW 473.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O5/c1-4-29-16-8-6-14(19(12-16)30-5-2)11-17-20(26)24-22(28)25(21(17)27)15-7-9-18(23)13(3)10-15/h6-12H,4-5H2,1-3H3,(H,24,26,28)/b17-11+InChIKey
CBTZCXOLFTULTJ-GZTJUZNOSA-NSynonyms
(5E)1(4bromo3methylphenyl)5((24diethoxyphenyl)methylidene)13diazinane246trione
(5E)1(4BROMO3METHYLPHENYL)5(24DIETHOXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=CC(=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)Br)C)OCC
CCOc1cc(OCC)ccc1C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)Br
InChI=1SC22H21BrN2O5c1429168614(19(1216)3052)111720(26)2422(28)25(21(17)27)157918(23)13(3)1015h612H45H213H3(H242628)b1711+
MFCD02379420
ZINC000009311215
ZINC09311215
ZINC9311215
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