Vitas-M small molecule compound

(5Z)-1-(3,4-dimethylphenyl)-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
STK551716
SMILES COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)C

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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 C29H23N3O6 MW 509.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O6/c1-16-8-10-20(12-17(16)2)32-28(36)23(25(33)30-29(32)37)14-18-9-11-24(38-3)19(13-18)15-31-26(34)21-6-4-5-7-22(21)27(31)35/h4-14H,15H2,1-3H3,(H,30,33,37)/b23-14-
InChIKey
AEJUHQARWADPLL-UCQKPKSFSA-N
Synonyms
1164537-88-5
(5Z)1(34DIMETHYLPHENYL)5((3((13DIOXOISOINDOL2YL)METHYL)4METHOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)1(34dimethylphenyl)5(3((13dioxo13dihydro2Hisoindol2yl)methyl)4methoxybenzylidene)pyrimidine246(1H3H5H)trione
(Z)1(34dimethylphenyl)5(3((13dioxoisoindolin2yl)methyl)4methoxybenzylidene)pyrimidine246(1H3H5H)trione
1(34DIMETHYLPHENYL)5(1(3(13DIOXO13DIHYDROISOINDOL2YLMETHYL)4METHOXYPHENYL)METH(Z)YLIDENE)PYRIMIDINE246TRIONE
1164537885
CC1=C(C=C(C=C1)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(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)C
InChI=1SC29H23N3O6c11681020(1217(16)2)3228(36)23(25(33)3029(32)37)141891124(383)19(1318)153126(34)21645722(21)27(31)35h414H15H213H3(H303337)b2314
MFCD03692842
ZINC000009012609
ZINC09012609
ZINC9012609

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Available files

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