Vitas-M small molecule compound
2-(5-{(E)-[1-(4-fluorobenzyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2-methoxybenzyl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STL559465
SMILES COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C/1\C(=NC(=O)N(C1=O)Cc1ccc(cc1)F)O
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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 C28H20FN3O6 MW 513.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20FN3O6/c1-38-23-11-8-17(12-18(23)15-31-25(34)20-4-2-3-5-21(20)26(31)35)13-22-24(33)30-28(37)32(27(22)36)14-16-6-9-19(29)10-7-16/h2-13H,14-15H2,1H3,(H,30,33,37)/b22-13+InChIKey
PBTQZYIBKYEEDE-LPYMAVHISA-NSynonyms
(5E)5((3((13dioxoisoindol2yl)methyl)4methoxyphenyl)methylidene)1((4fluorophenyl)methyl)13diazinane246trione
1908827
2(5((E)(1(4fluorobenzyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)2methoxybenzyl)1Hisoindole13(2H)dione
InChI=1SC28H20FN3O6c1382311817(1218(23)153125(34)20423521(20)26(31)35)132224(33)3028(37)32(27(22)36)14166919(29)10716h213H1415H21H3(H303337)b2213+
MFCD32221311
ZINC000034808316
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