Vitas-M small molecule compound
5-[3-iodo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK374578
SMILES C#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 C29H26INO3 MW 563.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26INO3/c1-5-12-34-28-21(30)13-18(14-24(28)33-4)27-26-20(15-29(2,3)16-23(26)32)25-19-9-7-6-8-17(19)10-11-22(25)31-27/h1,6-11,13-14,27,31H,12,15-16H2,2-4H3InChIKey
LOYIFOXPKOBEAP-UHFFFAOYSA-NSynonyms
5(3iodo5methoxy4(prop2yn1yloxy)phenyl)22dimethyl2356tetrahydrobenzo(a)phenanthridin4(1H)one
5(3iodo5methoxy4prop2ynoxyphenyl)22dimethyl1356tetrahydrobenzo(a)phenanthridin4one
CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C(=C5)I)OCC#C)OC)C(=O)C1)C
InChI=1SC29H26INO3c1512342821(30)1318(1424(28)334)272620(1529(23)1623(26)32)2519976817(19)101122(25)3127h161113142731H121516H224H3
MFCD01065876
ZINC000002188143
ZINC000002188144
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