Vitas-M small molecule compound
2,6-dimethoxy-4-(4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridinium-5-yl)phenolate
Catalog ID
STL043532
SMILES COc1cc(cc(c1[O-])OC)C1[NH2+]c2ccc3c(c2C2=C1C(=O)CCC2)cccc3
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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 C25H23NO4 MW 401.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23NO4/c1-29-20-12-15(13-21(30-2)25(20)28)24-23-17(8-5-9-19(23)27)22-16-7-4-3-6-14(16)10-11-18(22)26-24/h3-4,6-7,10-13,24,26,28H,5,8-9H2,1-2H3InChIKey
NHGZHEXKYGPITL-UHFFFAOYSA-NSynonyms
26dimethoxy4(4oxo123456hexahydrobenzo(a)phenanthridinium5yl)phenolate
5(4hydroxy35dimethoxyphenyl)2356tetrahydro1Hbenzo(a)phenanthridin4one
COC1=CC(=CC(=C1O)OC)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54
COc1cc(cc(c1(O))OC)C1(NH2+)c2ccc3c(c2C2=C1C(=O)CCC2)cccc3
InChI=1SC25H23NO4c129201215(1321(302)25(20)28)242317(85919(23)27)2216743614(16)101118(22)2624h34671013242628H589H212H3
MFCD00809834
ZINC000000828733
ZINC000000828734
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