Vitas-M small molecule compound

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

Catalog ID
STK269192
SMILES CCCCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)CC(CC2)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 C20H25NO4 MW 343.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO4/c1-3-4-11-25-20(24)14-6-8-15(9-7-14)21-18(22)16-10-5-13(2)12-17(16)19(21)23/h6-9,13,16-17H,3-5,10-12H2,1-2H3
InChIKey
JXNXIEFGNSSQPU-UHFFFAOYSA-N
Synonyms

butyl4(5methyl13dioxo3a45677ahexahydroisoindol2yl)benzoate
butyl4(5methyl13dioxooctahydro2Hisoindol2yl)benzoate
CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3CCC(CC3C2=O)C
InChI=1SC20H25NO4c134112520(24)146815(9714)2118(22)1610513(2)1217(16)19(21)23h69131617H351012H212H3
MFCD02020297
ZINC000017986702
ZINC000239328971

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.