Vitas-M small molecule compound
2-(5-{(Z)-[4-hydroxy-1-(3-methoxyphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2-methoxybenzyl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK581038
SMILES COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=NC(=O)N(C1=O)c1cccc(c1)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/c1-37-19-7-5-6-18(14-19)31-27(35)22(24(32)29-28(31)36)13-16-10-11-23(38-2)17(12-16)15-30-25(33)20-8-3-4-9-21(20)26(30)34/h3-14H,15H2,1-2H3,(H,29,32,36)/b22-13-InChIKey
BYYRYVBXDBDHBG-XKZIYDEJSA-NSynonyms
372185-66-5(5Z)5((3((13DIOXOISOINDOL2YL)METHYL)4METHOXYPHENYL)METHYLIDENE)1(3METHOXYPHENYL)13DIAZINANE246TRIONE
2(5((Z)(4hydroxy1(3methoxyphenyl)26dioxo16dihydropyrimidin5(2H)ylidene)methyl)2methoxybenzyl)1Hisoindole13(2H)dione
372185665
COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)OC)CN4C(=O)C5=CC=CC=C5C4=O
COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)C=C1C(=NC(=O)N(C1=O)c1cccc(c1)OC)O
InChI=1SC28H21N3O7c1371975618(1419)3127(35)22(24(32)2928(31)36)1316101123(382)17(1216)153025(33)20834921(20)26(30)34h314H15H212H3(H293236)b2213
MFCD07199793
ZINC000009183458
ZINC09183458
ZINC16972034
ZINC9183458
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.