Vitas-M small molecule compound
2-(5-{(Z)-[4-hydroxy-2,6-dioxo-1-(2,4,6-trimethylphenyl)-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2-methoxybenzyl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK597279
SMILES COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=NC(=O)N(C1=O)c1c(C)cc(cc1C)C)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 C30H25N3O6 MW 523.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O6/c1-16-11-17(2)25(18(3)12-16)33-29(37)23(26(34)31-30(33)38)14-19-9-10-24(39-4)20(13-19)15-32-27(35)21-7-5-6-8-22(21)28(32)36/h5-14H,15H2,1-4H3,(H,31,34,38)/b23-14-InChIKey
NHJRWMDLLWCHDF-UCQKPKSFSA-NSynonyms
374097-99-1(5Z)5((3((13DIOXOISOINDOL2YL)METHYL)4METHOXYPHENYL)METHYLIDENE)1(246TRIMETHYLPHENYL)13DIAZINANE246TRIONE
2(5((Z)(4hydroxy26dioxo1(246trimethylphenyl)16dihydropyrimidin5(2H)ylidene)methyl)2methoxybenzyl)1Hisoindole13(2H)dione
374097991
CC1=CC(=C(C(=C1)C)N2C(=O)C(=CC3=CC(=C(C=C3)OC)CN4C(=O)C5=CC=CC=C5C4=O)C(=O)NC2=O)C
COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)C=C1C(=NC(=O)N(C1=O)c1c(C)cc(cc1C)C)O
InChI=1SC30H25N3O6c1161117(2)25(18(3)1216)3329(37)23(26(34)3130(33)38)141991024(394)20(1319)153227(35)21756822(21)28(32)36h514H15H214H3(H313438)b2314
MFCD07207860
ZINC000017014444
ZINC17014444
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.