Vitas-M small molecule compound

2-butyl-3-(diphenylamino)-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one

Catalog ID
STK098167
SMILES CCCCN1C(=O)C2=C(C1N(c1ccccc1)c1ccccc1)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 C24H28N2O MW 360.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O/c1-2-3-18-25-23(21-16-10-11-17-22(21)24(25)27)26(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15,23H,2-3,10-11,16-18H2,1H3
InChIKey
YPMDHKWUVJERSM-UHFFFAOYSA-N
Synonyms

2butyl3(diphenylamino)234567hexahydro1Hisoindol1one
2butyl3(Nphenylanilino)4567tetrahydro3Hisoindol1one
CCCCN1C(=O)C2=C(C1N(c1ccccc1)c1ccccc1)CCCC2
CCCCN1C(C2=C(C1=O)CCCC2)N(C3=CC=CC=C3)C4=CC=CC=C4
InChI=1SC24H28N2Oc123182523(211610111722(21)24(25)27)26(19126471319)20148591520h49121523H2310111618H21H3
MFCD03033538
STK098167
ZINC000009730822
ZINC000009730823

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Available files

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