Vitas-M small molecule compound

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

Catalog ID
STK286509
SMILES CCC(c1ccc(cc1)OC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)CC=CC2)(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 C26H27NO4 MW 417.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO4/c1-4-26(2,3)18-12-14-20(15-13-18)31-25(30)17-8-7-9-19(16-17)27-23(28)21-10-5-6-11-22(21)24(27)29/h5-9,12-16,21-22H,4,10-11H2,1-3H3
InChIKey
XDWCGPUWZGYRIC-UHFFFAOYSA-N
Synonyms

(4(2METHYLBUTAN2YL)PHENYL)3(13DIOXO3A477ATETRAHYDROISOINDOL2YL)BENZOATE
4(2METHYLBUTAN2YL)PHENYL3((3AR7AR)13DIOXO133A477AHEXAHYDRO2HISOINDOL2YL)BENZOATE
4(2methylbutan2yl)phenyl3(13dioxo133a477ahexahydro2Hisoindol2yl)benzoate
4TERTPENTYLPHENYL3(13DIOXO133A477AHEXAHYDRO2HISOINDOL2YL)BENZOATE
CCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4CC=CCC4C3=O
InChI=1SC26H27NO4c1426(23)18121420(151318)3125(30)1787919(1617)2723(28)2110561122(21)24(27)29h5912162122H41011H213H3
MFCD03577360
ZINC000017988231
ZINC000102636217

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Available files

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