Vitas-M small molecule compound
2-{5-[1-(3-fluorobenzyl)-5-hydroxy-3,4-dihydro-1H-azepino[4,3,2-cd]indol-3-yl]furan-2-yl}benzoic acid
Catalog ID
STL545954
SMILES OC1=Nc2cccc3c2c(C(C1)c1ccc(o1)c1ccccc1C(=O)O)cn3Cc1cccc(c1)F
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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 C29H21FN2O4 MW 480.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21FN2O4/c30-18-6-3-5-17(13-18)15-32-16-22-21(14-27(33)31-23-9-4-10-24(32)28(22)23)26-12-11-25(36-26)19-7-1-2-8-20(19)29(34)35/h1-13,16,21H,14-15H2,(H,31,33)(H,34,35)InChIKey
KKCQYWHAZXDART-UHFFFAOYSA-NSynonyms
122170204
2(5(1(3fluorobenzyl)5hydroxy34dihydro1Hazepino(432cd)indol3yl)furan2yl)benzoicacid
2(5(3((3fluorophenyl)methyl)10oxo39diazatricyclo(6410^(413))trideca1468(13)tetraen12yl)furan2yl)benzoicacid
InChI=1SC29H21FN2O4c301863517(1318)1532162221(1427(33)3123941024(32)28(22)23)26121125(3626)19712820(19)29(34)35h1131621H1415H2(H3133)(H3435)
MFCD31756326
ZINC000409415457
ZINC000409415458
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