Vitas-M small molecule compound
(5Z)-1-(3-bromophenyl)-5-[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK084036
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2cccc(c2)Br)cc(c1O)CC=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 C22H19BrN2O5 MW 471.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN2O5/c1-3-6-14-9-13(11-18(19(14)26)30-4-2)10-17-20(27)24-22(29)25(21(17)28)16-8-5-7-15(23)12-16/h3,5,7-12,26H,1,4,6H2,2H3,(H,24,27,29)/b17-10-InChIKey
WXJLQSMKBJHFSP-YVLHZVERSA-NSynonyms
(5Z)1(3bromophenyl)5((3ethoxy4hydroxy5prop2enylphenyl)methylidene)13diazinane246trione
(5Z)1(3BROMOPHENYL)5(3ETHOXY4HYDROXY5(PROP2EN1YL)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=CC(=CC(=C1O)CC=C)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Br
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(c2)Br)cc(c1O)CC=C
InChI=1SC22H19BrN2O5c13614913(1118(19(14)26)3042)101720(27)2422(29)25(21(17)28)1685715(23)1216h3571226H146H22H3(H242729)b1710
MFCD02783010
STK084036
ZINC000009311642
ZINC09311642
ZINC9311642
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