Vitas-M small molecule compound
5-(4-ethoxy-3-iodo-5-methoxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK756192
SMILES CCOc1c(I)cc(cc1OC)C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)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 C28H28INO3 MW 553.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28INO3/c1-5-33-27-20(29)12-17(13-23(27)32-4)26-25-19(14-28(2,3)15-22(25)31)24-18-9-7-6-8-16(18)10-11-21(24)30-26/h6-13,26,30H,5,14-15H2,1-4H3InChIKey
QDTDSHKTKOMJBV-UHFFFAOYSA-NSynonyms
5(4ethoxy3iodo5methoxyphenyl)22dimethyl1356tetrahydrobenzo(a)phenanthridin4one
5(4ethoxy3iodo5methoxyphenyl)22dimethyl2356tetrahydrobenzo(a)phenanthridin4(1H)one
CCOC1=C(C=C(C=C1I)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54)OC
InChI=1SC28H28INO3c15332720(29)1217(1323(27)324)262519(1428(23)1522(25)31)2418976816(18)101121(24)3026h6132630H51415H214H3
MFCD01029943
ZINC000002188098
ZINC000002188099
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