Vitas-M small molecule compound

2-oxo-2-phenylethyl 2-(3-methoxypropyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

Catalog ID
STK253785
SMILES COCCCN1C(=O)c2c(C1=O)cc(cc2)C(=O)OCC(=O)c1ccccc1

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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 C21H19NO6 MW 381.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO6/c1-27-11-5-10-22-19(24)16-9-8-15(12-17(16)20(22)25)21(26)28-13-18(23)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKey
XKLLJMNRSUZJDQ-UHFFFAOYSA-N
Synonyms

2oxo2phenylethyl2(3methoxypropyl)13dioxo23dihydro1Hisoindole5carboxylate
2OXO2PHENYLETHYL2(3METHOXYPROPYL)13DIOXOBENZO(C)AZOLIDINE5CARBOXYLATE
COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3
InChI=1SC21H19NO6c127115102219(24)169815(1217(16)20(22)25)21(26)281318(23)146324714h246912H5101113H21H3
MFCD02315060
PHENACYL2(3METHOXYPROPYL)13DIOXOISOINDOLE5CARBOXYLATE
ZINC000003567070
ZINC03567070
ZINC3567070

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Available files

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