Vitas-M small molecule compound

2-butyl-3-[(4-phenylbutan-2-yl)amino]-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one

Catalog ID
STK023450
SMILES CCCCN1C(NC(CCc2ccccc2)C)C2=C(C1=O)CCCC2

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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 C22H32N2O MW 340.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32N2O/c1-3-4-16-24-21(19-12-8-9-13-20(19)22(24)25)23-17(2)14-15-18-10-6-5-7-11-18/h5-7,10-11,17,21,23H,3-4,8-9,12-16H2,1-2H3
InChIKey
PILDCWFKZJVIIB-UHFFFAOYSA-N
Synonyms

2butyl3((4phenylbutan2yl)amino)234567hexahydro1Hisoindol1one
2butyl3(4phenylbutan2ylamino)4567tetrahydro3Hisoindol1one
CCCCN1C(C2=C(C1=O)CCCC2)NC(C)CCC3=CC=CC=C3
CCCCN1C(NC(CCc2ccccc2)C)C2=C(C1=O)CCCC2
InChI=1SC22H32N2Oc134162421(1912891320(19)22(24)25)2317(2)141518106571118h571011172123H34891216H212H3
MFCD03034167
STK023450
ZINC000019907709
ZINC000019907715

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Available files

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