Vitas-M small molecule compound

2-tert-butyl-3-(2-methyl-1H-indol-3-yl)-2,3-dihydro-1H-isoindol-1-one

Catalog ID
STK250381
SMILES O=C1c2ccccc2C(N1C(C)(C)C)c1c(C)[nH]c2c1cccc2

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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 C21H22N2O MW 318.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O/c1-13-18(16-11-7-8-12-17(16)22-13)19-14-9-5-6-10-15(14)20(24)23(19)21(2,3)4/h5-12,19,22H,1-4H3
InChIKey
RCRGHUHQMMGVDO-UHFFFAOYSA-N
Synonyms

2tertbutyl3(2methyl1Hindol3yl)23dihydro1Hisoindol1one
2tertbutyl3(2methyl1Hindol3yl)3Hisoindol1one
CC1=C(C2=CC=CC=C2N1)C3C4=CC=CC=C4C(=O)N3C(C)(C)C
InChI=1SC21H22N2Oc11318(1611781217(16)2213)19149561015(14)20(24)23(19)21(23)4h5121922H14H3
MFCD08680808
O=C1c2ccccc2C(N1C(C)(C)C)c1c(C)(nH)c2c1cccc2
ZINC000009669303
ZINC000013844873

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Available files

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