Vitas-M small molecule compound
(5E)-5-[4-(butan-2-yloxy)-3-chlorobenzylidene]-1-(3,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170710
SMILES CCC(Oc1ccc(cc1Cl)/C=C/1\C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C)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 C23H23ClN2O4 MW 426.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN2O4/c1-5-15(4)30-20-7-6-16(12-19(20)24)11-18-21(27)25-23(29)26(22(18)28)17-9-13(2)8-14(3)10-17/h6-12,15H,5H2,1-4H3,(H,25,27,29)/b18-11+InChIKey
NGDAMMOUBBFTKW-WOJGMQOQSA-NSynonyms
(5E)5((4BUTAN2YLOXY3CHLOROPHENYL)METHYLIDENE)1(35DIMETHYLPHENYL)13DIAZINANE246TRIONE
(5E)5(4(BUTAN2YLOXY)3CHLOROBENZYLIDENE)1(35DIMETHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCC(C)OC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC(=C3)C)C)Cl
CCC(Oc1ccc(cc1Cl)C=C1C(=O)NC(=O)N(C1=O)c1cc(C)cc(c1)C)C
InChI=1SC23H23ClN2O4c1515(4)30207616(1219(20)24)111821(27)2523(29)26(22(18)28)17913(2)814(3)1017h61215H5H214H3(H252729)b1811+
MFCD03059418
ZINC000001155075
ZINC000001155077
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