Vitas-M small molecule compound
(5E)-5-[3-bromo-4-(prop-2-en-1-yloxy)benzylidene]-1-(3,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK176856
SMILES C=CCOc1ccc(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 C22H19BrN2O4 MW 455.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN2O4/c1-4-7-29-19-6-5-15(12-18(19)23)11-17-20(26)24-22(28)25(21(17)27)16-9-13(2)8-14(3)10-16/h4-6,8-12H,1,7H2,2-3H3,(H,24,26,28)/b17-11+InChIKey
XKINROGJFDHPAV-GZTJUZNOSA-NSynonyms
(5E)5((3bromo4prop2enoxyphenyl)methylidene)1(35dimethylphenyl)13diazinane246trione
(5E)5(3BROMO4(PROP2EN1YLOXY)BENZYLIDENE)1(35DIMETHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
C=CCOc1ccc(cc1Br)C=C1C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC=C)Br)C(=O)NC2=O)C
InChI=1SC22H19BrN2O4c14729196515(1218(19)23)111720(26)2422(28)25(21(17)27)16913(2)814(3)1016h46812H17H223H3(H242628)b1711+
MFCD01610256
ZINC000009310906
ZINC09310906
ZINC9310906
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