Vitas-M small molecule compound

1-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}benzo[cd]indol-2(1H)-one

Catalog ID
STL062083
SMILES O=C(N1CCN(CC1)c1cccc(c1C)C)Cn1c(=O)c2c3c1cccc3ccc2

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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 C25H25N3O2 MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O2/c1-17-6-3-10-21(18(17)2)26-12-14-27(15-13-26)23(29)16-28-22-11-5-8-19-7-4-9-20(24(19)22)25(28)30/h3-11H,12-16H2,1-2H3
InChIKey
OJHCLJFMQVKLKU-UHFFFAOYSA-N
Synonyms

1(2(4(23dimethylphenyl)piperazin1yl)2oxoethyl)benzo(cd)indol2(1H)one
1(2(4(23dimethylphenyl)piperazin1yl)2oxoethyl)benzo(cd)indol2one
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C4=CC=CC5=C4C(=CC=C5)C3=O)C
InChI=1SC25H25N3O2c117631021(18(17)2)26121427(151326)23(29)16282211581974920(24(19)22)25(28)30h311H1216H212H3
MFCD07397276
ZINC000004941360
ZINC04941360
ZINC4941360

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Available files

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