Vitas-M small molecule compound
5-(3-ethoxy-5-iodo-4-methoxyphenyl)-2,2-dimethyl-2,3,6,12c-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK674697
SMILES CCOc1cc(cc(c1OC)I)C1=C2C(=O)CC(CC2c2c(N1)ccc1c2cccc1)(C)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 C28H28INO3 MW 553.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28INO3/c1-5-33-23-13-17(12-20(29)27(23)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/h6-13,19,30H,5,14-15H2,1-4H3InChIKey
AXGMTEBPTKCBSL-UHFFFAOYSA-NSynonyms
5(3ethoxy5iodo4methoxyphenyl)22dimethyl13612ctetrahydrobenzo(a)phenanthridin4one
5(3ethoxy5iodo4methoxyphenyl)22dimethyl23612ctetrahydrobenzo(a)phenanthridin4(1H)one
CCOC1=C(C(=CC(=C1)C2=C3C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54)I)OC
InChI=1SC28H28INO3c1533231317(1220(29)27(23)324)262519(1428(23)1522(25)31)2418976816(18)101121(24)3026h6131930H51415H214H3
MFCD01460318
ZINC000003667127
ZINC000003667128
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