Vitas-M small molecule compound

4-tert-butylphenyl 3-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate

Catalog ID
STK274639
SMILES CC1CCC2C(C1)C(=O)N(C2=O)c1cccc(c1)C(=O)Oc1ccc(cc1)C(C)(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 C26H29NO4 MW 419.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO4/c1-16-8-13-21-22(14-16)24(29)27(23(21)28)19-7-5-6-17(15-19)25(30)31-20-11-9-18(10-12-20)26(2,3)4/h5-7,9-12,15-16,21-22H,8,13-14H2,1-4H3
InChIKey
XUVZOOARONHAFF-UHFFFAOYSA-N
Synonyms

(4tertbutylphenyl)3(5methyl13dioxo3a45677ahexahydroisoindol2yl)benzoate
4tertbutylphenyl3(5methyl13dioxooctahydro2Hisoindol2yl)benzoate
CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OC4=CC=C(C=C4)C(C)(C)C
InChI=1SC26H29NO4c1168132122(1416)24(29)27(23(21)28)1975617(1519)25(30)312011918(101220)26(23)4h5791215162122H81314H214H3
MFCD02871167
ZINC000017987171
ZINC000239247991

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Available files

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