Vitas-M small molecule compound

2-(3,4-dimethylphenyl)-2-oxoethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate

Catalog ID
STK252499
SMILES O=C1N(c2cccc(c2)C(=O)OCC(=O)c2ccc(c(c2)C)C)C(=O)C2C1CC=CC2

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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 C25H23NO5 MW 417.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23NO5/c1-15-10-11-17(12-16(15)2)22(27)14-31-25(30)18-6-5-7-19(13-18)26-23(28)20-8-3-4-9-21(20)24(26)29/h3-7,10-13,20-21H,8-9,14H2,1-2H3
InChIKey
OGENYZWLZJBAJK-UHFFFAOYSA-N
Synonyms

(2(34DIMETHYLPHENYL)2OXOETHYL)3(13DIOXO3A477ATETRAHYDROISOINDOL2YL)BENZOATE
2(34DIMETHYLPHENYL)2OXOETHYL3((3AR7AR)13DIOXO133A477AHEXAHYDRO2HISOINDOL2YL)BENZOATE
2(34DIMETHYLPHENYL)2OXOETHYL3((3AR7AS)13DIOXO133A477AHEXAHYDRO2HISOINDOL2YL)BENZOATE
2(34DIMETHYLPHENYL)2OXOETHYL3(13DIOXO133A477AHEXAHYDRO2HISOINDOL2YL)BENZOATE
CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)C4CC=CCC4C3=O)C
InChI=1SC25H23NO5c115101117(1216(15)2)22(27)143125(30)1865719(1318)2623(28)20834921(20)24(26)29h3710132021H8914H212H3
MFCD01577463
ZINC000013845399
ZINC000101224751

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Available files

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