Vitas-M small molecule compound

12-(3,4-dihydroxyphenyl)-8,9,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11(7H)-one

Catalog ID
STK772611
SMILES O=C1CCCC2=C1C(c1ccc(c(c1)O)O)c1c(N2)ccc2c1cccn2

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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 C22H18N2O3 MW 358.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O3/c25-17-9-6-12(11-19(17)27)20-21-13-3-2-10-23-14(13)7-8-16(21)24-15-4-1-5-18(26)22(15)20/h2-3,6-11,20,24-25,27H,1,4-5H2
InChIKey
IWLIWTHFSYYKFK-UHFFFAOYSA-N
Synonyms

12(34dihydroxyphenyl)891012tetrahydro7Hbenzo(b)(47)phenanthrolin11one
12(34dihydroxyphenyl)891012tetrahydrobenzo(b)(47)phenanthrolin11(7H)one
C1CC2=C(C(C3=C(N2)C=CC4=C3C=CC=N4)C5=CC(=C(C=C5)O)O)C(=O)C1
InChI=1SC22H18N2O3c25179612(1119(17)27)20211332102314(13)7816(21)241541518(26)22(15)20h2361120242527H145H2
MFCD03820144
ZINC000001440573
ZINC000001440574

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Available files

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