Vitas-M small molecule compound
(5Z)-1-(3-chlorophenyl)-5-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL484385
SMILES COc1cc(ccc1OCc1ccccc1F)/C=C\1/C(=O)NC(=O)N(C1=O)c1cccc(c1)Cl
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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 C25H18ClFN2O5 MW 480.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClFN2O5/c1-33-22-12-15(9-10-21(22)34-14-16-5-2-3-8-20(16)27)11-19-23(30)28-25(32)29(24(19)31)18-7-4-6-17(26)13-18/h2-13H,14H2,1H3,(H,28,30,32)/b19-11-InChIKey
IVGTXMLWPDIUEX-ODLFYWEKSA-NSynonyms
(5Z)1(3chlorophenyl)5((4((2fluorophenyl)methoxy)3methoxyphenyl)methylidene)13diazinane246trione
(5Z)1(3chlorophenyl)5(4((2fluorobenzyl)oxy)3methoxybenzylidene)pyrimidine246(1H3H5H)trione
COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Cl)OCC4=CC=CC=C4F
COc1cc(ccc1OCc1ccccc1F)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)Cl
InChI=1SC25H18ClFN2O5c133221215(91021(22)341416523820(16)27)111923(30)2825(32)29(24(19)31)1874617(26)1318h213H14H21H3(H283032)b1911
MFCD30713475
ZINC000033424046
ZINC33424046
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