Vitas-M small molecule compound

1-benzyl-3-(quinolin-6-yl)-3,4-dihydro-1H-azepino[4,3,2-cd]indol-5-ol

Catalog ID
STL548182
SMILES OC1=Nc2cccc3c2c(C(C1)c1ccc2c(c1)cccn2)cn3Cc1ccccc1

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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 C27H21N3O MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O/c31-26-15-21(19-11-12-23-20(14-19)8-5-13-28-23)22-17-30(16-18-6-2-1-3-7-18)25-10-4-9-24(29-26)27(22)25/h1-14,17,21H,15-16H2,(H,29,31)
InChIKey
UGLXDGARSKFWAM-UHFFFAOYSA-N
Synonyms

121541464
1BENZYL3(QUINOLIN6YL)34DIHYDRO1HAZEPINO(432CD)INDOL5(6H)ONE
1benzyl3(quinolin6yl)34dihydro1Hazepino(432cd)indol5ol
3benzyl12quinolin6yl39diazatricyclo(6410^(413))trideca1468(13)tetraen10one
InChI=1SC27H21N3Oc31261521(1911122320(1419)85132823)221730(16186213718)25104924(2926)27(22)25h1141721H1516H2(H2931)
MFCD31756711
ZINC000263586420
ZINC000263586421

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Available files

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