Vitas-M small molecule compound
2-(5-{(E)-[4-hydroxy-1-(4-methoxyphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2-methoxybenzyl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STL149938
SMILES COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)OC)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 C28H21N3O7 MW 511.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O7/c1-37-19-10-8-18(9-11-19)31-27(35)22(24(32)29-28(31)36)14-16-7-12-23(38-2)17(13-16)15-30-25(33)20-5-3-4-6-21(20)26(30)34/h3-14H,15H2,1-2H3,(H,29,32,36)/b22-14+InChIKey
FQRLRRXUCJUSHM-HYARGMPZSA-NSynonyms
(5E)5((3((13DIOXOISOINDOL2YL)METHYL)4METHOXYPHENYL)METHYLIDENE)1(4METHOXYPHENYL)13DIAZINANE246TRIONE
2(5((E)(4hydroxy1(4methoxyphenyl)26dioxo16dihydropyrimidin5(2H)ylidene)methyl)2methoxybenzyl)1Hisoindole13(2H)dione
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC)CN4C(=O)C5=CC=CC=C5C4=O)C(=O)NC2=O
COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)C=C1C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O
InChI=1SC28H21N3O7c1371910818(91119)3127(35)22(24(32)2928(31)36)141671223(382)17(1316)153025(33)20534621(20)26(30)34h314H15H212H3(H293236)b2214+
MFCD20755700
ZINC000002283241
ZINC02283241
ZINC2283241
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