Vitas-M small molecule compound
(5E)-5-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-(3,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170673
SMILES COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2cc(C)cc(c2)C)cc(c1OCc1ccccc1)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 C27H23BrN2O5 MW 535.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrN2O5/c1-16-9-17(2)11-20(10-16)30-26(32)21(25(31)29-27(30)33)12-19-13-22(28)24(23(14-19)34-3)35-15-18-7-5-4-6-8-18/h4-14H,15H2,1-3H3,(H,29,31,33)/b21-12+InChIKey
RPUXGQNXOFVGSX-CIAFOILYSA-NSynonyms
(5E)5((3bromo5methoxy4phenylmethoxyphenyl)methylidene)1(35dimethylphenyl)13diazinane246trione
(5E)5(4(BENZYLOXY)3BROMO5METHOXYBENZYLIDENE)1(35DIMETHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4)OC)C(=O)NC2=O)C
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cc(C)cc(c2)C)cc(c1OCc1ccccc1)Br
InChI=1SC27H23BrN2O5c116917(2)1120(1016)3026(32)21(25(31)2927(30)33)12191322(28)24(23(1419)343)3515187546818h414H15H213H3(H293133)b2112+
MFCD01610233
ZINC000100320257
ZINC100320257
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