Vitas-M small molecule compound
(5Z)-5-{3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-methoxybenzylidene}-1-hexylpyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK525990
SMILES CCCCCCN1C(=O)NC(=O)/C(=C/c2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)OC)/C1=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 C27H27N3O6 MW 489.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O6/c1-3-4-5-8-13-29-26(34)21(23(31)28-27(29)35)15-17-11-12-22(36-2)18(14-17)16-30-24(32)19-9-6-7-10-20(19)25(30)33/h6-7,9-12,14-15H,3-5,8,13,16H2,1-2H3,(H,28,31,35)/b21-15-InChIKey
DBICKLZRRDBMRH-QNGOZBTKSA-NSynonyms
(5Z)5((3((13DIOXOISOINDOL2YL)METHYL)4METHOXYPHENYL)METHYLIDENE)1HEXYL13DIAZINANE246TRIONE
(5Z)5(3((13dioxo13dihydro2Hisoindol2yl)methyl)4methoxybenzylidene)1hexylpyrimidine246(1H3H5H)trione
(Z)5(3((13dioxoisoindolin2yl)methyl)4methoxybenzylidene)1hexylpyrimidine246(1H3H5H)trione
CCCCCCN1C(=O)C(=CC2=CC(=C(C=C2)OC)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)NC1=O
CCCCCCN1C(=O)NC(=O)C(=Cc2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)OC)C1=O
InChI=1SC27H27N3O6c13458132926(34)21(23(31)2827(29)35)1517111222(362)18(1417)163024(32)199671020(19)25(30)33h679121415H3581316H212H3(H283135)b2115
MFCD01960032
ZINC000009348799
ZINC09348799
ZINC19708566
ZINC9348799
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.