Vitas-M small molecule compound

3-(butylamino)-2-(4-phenylbutan-2-yl)-2,3-dihydro-1H-isoindol-1-one

Catalog ID
STK072218
SMILES CCCCNC1N(C(CCc2ccccc2)C)C(=O)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 C22H28N2O MW 336.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O/c1-3-4-16-23-21-19-12-8-9-13-20(19)22(25)24(21)17(2)14-15-18-10-6-5-7-11-18/h5-13,17,21,23H,3-4,14-16H2,1-2H3
InChIKey
BAEHIFDGFKNAKZ-UHFFFAOYSA-N
Synonyms

3(BUTYLAMINO)2(4PHENYLBUTAN2YL)23DIHYDRO1HISOINDOL1ONE
3(butylamino)2(4phenylbutan2yl)3Hisoindol1one
CCCCNC1C2=CC=CC=C2C(=O)N1C(C)CCC3=CC=CC=C3
CCCCNC1N(C(CCc2ccccc2)C)C(=O)c2c1cccc2
InChI=1SC22H28N2Oc1341623211912891320(19)22(25)24(21)17(2)141518106571118h513172123H341416H212H3
MFCD03032596
STK072218
ZINC000009659354
ZINC000020149702

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Available files

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