Vitas-M small molecule compound

pentadecyl 2-(3-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

Catalog ID
STK247348
SMILES CCCCCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1cccc(c1)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 C31H41NO4 MW 491.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-36-31(35)25-19-20-27-28(23-25)30(34)32(29(27)33)26-18-16-17-24(2)22-26/h16-20,22-23H,3-15,21H2,1-2H3
InChIKey
AOQCSAXZORKVDM-UHFFFAOYSA-N
Synonyms

CCCCCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=CC(=C3)C
InChI=1SC31H41NO4c13456789101112131415213631(35)2519202728(2325)30(34)32(29(27)33)2618161724(2)2226h16202223H31521H212H3
MFCD01046585
PENTADECYL2(3METHYLPHENYL)13DIOXO23DIHYDRO1HISOINDOLE5CARBOXYLATE
PENTADECYL2(3METHYLPHENYL)13DIOXO5ISOINDOLINECARBOXYLATE
PENTADECYL2(3METHYLPHENYL)13DIOXOISOINDOLE5CARBOXYLATE
ZINC000008448984
ZINC08448984
ZINC8448984

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Available files

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