Vitas-M small molecule compound
4-(3,3-dimethyl-1-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridinium-5-yl)-2-methoxyphenolate
Catalog ID
STL528333
SMILES COc1cc(ccc1[O-])C1[NH2+]c2ccc3c(c2C2=C1CC(C)(C)CC2=O)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 C26H25NO3 MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO3/c1-26(2)13-18-24(21(29)14-26)23-17-7-5-4-6-15(17)8-10-19(23)27-25(18)16-9-11-20(28)22(12-16)30-3/h4-12,25,27-28H,13-14H2,1-3H3InChIKey
CCEMVLTVPWKCKA-UHFFFAOYSA-NSynonyms
428856-60-44(33dimethyl1oxo123456hexahydrobenzo(a)phenanthridinium5yl)2methoxyphenolate
4(33dimethyl1oxo2456tetrahydrobenzo(a)phenanthridin6ium5yl)2methoxyphenolate
4032065
428856604
MFCD03016075
ZINC000000902584
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