Vitas-M small molecule compound
(5Z)-1-(4-chlorophenyl)-5-{3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-methoxybenzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK534296
SMILES COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
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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 C27H18ClN3O6 MW 515.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClN3O6/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
SNMNLARYWGQSAN-BKUYFWCQSA-NSynonyms
374543-28-9(5Z)1(4chlorophenyl)5((3((13dioxoisoindol2yl)methyl)4methoxyphenyl)methylidene)13diazinane246trione
(5Z)1(4chlorophenyl)5(3((13dioxo13dihydro2Hisoindol2yl)methyl)4methoxybenzylidene)pyrimidine246(1H3H5H)trione
(Z)1(4chlorophenyl)5(3((13dioxoisoindolin2yl)methyl)4methoxybenzylidene)pyrimidine246(1H3H5H)trione
374543289
COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)CN4C(=O)C5=CC=CC=C5C4=O
COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
InChI=1SC27H18ClN3O6c1372211615(1216(22)143024(33)19423520(19)25(30)34)132123(32)2927(36)31(26(21)35)189717(28)81018h213H14H21H3(H293236)b2113
MFCD01955991
ZINC000013774974
ZINC13774974
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