Vitas-M small molecule compound

(5Z)-5-{3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-4-methoxybenzylidene}-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK533558
SMILES COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)/C=C\1/C(=O)NC(=O)N(C1=O)c1cccc(c1)C(F)(F)F

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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 C28H18F3N3O6 MW 549.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18F3N3O6/c1-40-22-10-9-15(11-16(22)14-33-24(36)19-7-2-3-8-20(19)25(33)37)12-21-23(35)32-27(39)34(26(21)38)18-6-4-5-17(13-18)28(29,30)31/h2-13H,14H2,1H3,(H,32,35,39)/b21-12-
InChIKey
SZXBEEKUKKUKNR-MTJSOVHGSA-N
Synonyms
373376-44-4
(5Z)5((3((13DIOXOISOINDOL2YL)METHYL)4METHOXYPHENYL)METHYLIDENE)1(3(TRIFLUOROMETHYL)PHENYL)13DIAZINANE246TRIONE
(5Z)5(3((13dioxo13dihydro2Hisoindol2yl)methyl)4methoxybenzylidene)1(3(trifluoromethyl)phenyl)pyrimidine246(1H3H5H)trione
(Z)5(3((13dioxoisoindolin2yl)methyl)4methoxybenzylidene)1(3(trifluoromethyl)phenyl)pyrimidine246(1H3H5H)trione
373376444
COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F)CN4C(=O)C5=CC=CC=C5C4=O
COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)C(F)(F)F
InChI=1SC28H18F3N3O6c1402210915(1116(22)143324(36)19723820(19)25(33)37)122123(35)3227(39)34(26(21)38)1864517(1318)28(2930)31h213H14H21H3(H323539)b2112
MFCD01946529
ZINC000100291831
ZINC100291831

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Available files

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