Vitas-M small molecule compound
2-(5-{(Z)-[1-(4-fluorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2-methoxybenzyl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STL036936
SMILES COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=NC(=O)N(C1=O)c1ccc(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 C27H18FN3O6 MW 499.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18FN3O6/c1-37-22-11-6-15(12-16(22)14-30-24(33)19-4-2-3-5-20(19)25(30)34)13-21-23(32)29-27(36)31(26(21)35)18-9-7-17(28)8-10-18/h2-13H,14H2,1H3,(H,29,32,36)/b21-13-InChIKey
DYVWYBWTMMFIAG-BKUYFWCQSA-NSynonyms
373620-26-9(5Z)5((3((13DIOXOISOINDOL2YL)METHYL)4METHOXYPHENYL)METHYLIDENE)1(4FLUOROPHENYL)13DIAZINANE246TRIONE
2(5((Z)(1(4fluorophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)2methoxybenzyl)1Hisoindole13(2H)dione
COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)F)CN4C(=O)C5=CC=CC=C5C4=O
COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)C=C1C(=NC(=O)N(C1=O)c1ccc(cc1)F)O
Registry IDs
MFCD03802339ZINC000001241259
ZINC01241259
ZINC1241259
ZINC13773979
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