Vitas-M small molecule compound
2-amino-4-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-ethoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL379730
SMILES CCOc1cc(cc(c1OCc1ccccc1Cl)Br)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 C25H22BrClN2O4 MW 529.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrClN2O4/c1-2-31-21-11-15(10-17(26)24(21)32-13-14-6-3-4-7-18(14)27)22-16(12-28)25(29)33-20-9-5-8-19(30)23(20)22/h3-4,6-7,10-11,22H,2,5,8-9,13,29H2,1H3InChIKey
JCXWKAAYCHSEIY-UHFFFAOYSA-NSynonyms
2amino4(3bromo4((2chlorobenzyl)oxy)5ethoxyphenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(3bromo4((2chlorophenyl)methoxy)5ethoxyphenyl)5oxo4678tetrahydrochromene3carbonitrile
CCOC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br)OCC4=CC=CC=C4Cl
InChI=1SC25H22BrClN2O4c1231211115(1017(26)24(21)321314634718(14)27)2216(1228)25(29)332095819(30)23(20)22h3467101122H25891329H21H3
MFCD04209845
ZINC000001144931
ZINC000001144932
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