Vitas-M small molecule compound
2-amino-4-{3-ethoxy-5-iodo-4-[(4-methylbenzyl)oxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL379700
SMILES CCOc1cc(cc(c1OCc1ccc(cc1)C)I)C1C(=C(N)OC2=C1C(=O)CCC2)C#N
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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 C26H25IN2O4 MW 556.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25IN2O4/c1-3-31-22-12-17(11-19(27)25(22)32-14-16-9-7-15(2)8-10-16)23-18(13-28)26(29)33-21-6-4-5-20(30)24(21)23/h7-12,23H,3-6,14,29H2,1-2H3InChIKey
LBPDQHKFOHLXRE-UHFFFAOYSA-NSynonyms
2amino4(3ethoxy5iodo4((4methylbenzyl)oxy)phenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(3ethoxy5iodo4((4methylphenyl)methoxy)phenyl)5oxo4678tetrahydrochromene3carbonitrile
CCOC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)I)OCC4=CC=C(C=C4)C
InChI=1SC26H25IN2O4c1331221217(1119(27)25(22)3214169715(2)81016)2318(1328)26(29)332164520(30)24(21)23h71223H361429H212H3
MFCD04209848
ZINC000001144957
ZINC000001144959
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