Vitas-M small molecule compound
[1-ethyl-6-hydroxy-3-(4-methylphenyl)-3a,6-dihydro-1H-benzo[de]cinnolin-7-yl](4-methylphenyl)methanone
Catalog ID
STL503661
SMILES CCN1N=C(c2ccc(cc2)C)C2c3c1ccc(c3C(C=C2)O)C(=O)c1ccc(cc1)C
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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 C28H26N2O2 MW 422.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O2/c1-4-30-23-15-13-22(28(32)20-11-7-18(3)8-12-20)26-24(31)16-14-21(25(23)26)27(29-30)19-9-5-17(2)6-10-19/h5-16,21,24,31H,4H2,1-3H3InChIKey
XFZPBTQFWLBZNL-UHFFFAOYSA-NSynonyms
(1ethyl6hydroxy3(4methylphenyl)3a6dihydro1Hbenzo(de)cinnolin7yl)(4methylphenyl)methanone
(2ethyl8hydroxy4(4methylphenyl)23diazatricyclo(7310^(513))trideca1(13)36911pentaen10yl)(4methylphenyl)methanone
126843814
InChI=1SC28H26N2O2c143023151322(28(32)2011718(3)81220)2624(31)161421(25(23)26)27(2930)199517(2)61019h516212431H4H213H3
MFCD31538565
ZINC000670417858
ZINC000670417861
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