Vitas-M small molecule compound

3-(2-methyl-1H-indol-3-yl)-2-(1-phenylethyl)-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one

Catalog ID
STK121144
SMILES O=C1C2=C(C(N1C(c1ccccc1)C)c1c(C)[nH]c3c1cccc3)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 C25H26N2O MW 370.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O/c1-16-23(21-14-8-9-15-22(21)26-16)24-19-12-6-7-13-20(19)25(28)27(24)17(2)18-10-4-3-5-11-18/h3-5,8-11,14-15,17,24,26H,6-7,12-13H2,1-2H3
InChIKey
JWNMZYLANVDJON-UHFFFAOYSA-N
Synonyms

3(2methyl1Hindol3yl)2(1phenylethyl)234567hexahydro1Hisoindol1one
3(2methyl1Hindol3yl)2(1phenylethyl)4567tetrahydro3Hisoindol1one
CC1=C(C2=CC=CC=C2N1)C3C4=C(CCCC4)C(=O)N3C(C)C5=CC=CC=C5
InChI=1SC25H26N2Oc11623(2114891522(21)2616)241912671320(19)25(28)27(24)17(2)18104351118h358111415172426H671213H212H3
MFCD08675081
O=C1C2=C(C(N1C(c1ccccc1)C)c1c(C)(nH)c3c1cccc3)CCCC2
ZINC000004698666
ZINC000004698669

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Available files

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