Vitas-M small molecule compound
2-amino-4-{3-bromo-4-[(3-chlorobenzyl)oxy]-5-ethoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL379735
SMILES CCOc1cc(cc(c1OCc1cccc(c1)Cl)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(10-18(26)24(21)32-13-14-5-3-6-16(27)9-14)22-17(12-28)25(29)33-20-8-4-7-19(30)23(20)22/h3,5-6,9-11,22H,2,4,7-8,13,29H2,1H3InChIKey
JBPGRARVRSBUGA-UHFFFAOYSA-NSynonyms
2amino4(3bromo4((3chlorobenzyl)oxy)5ethoxyphenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(3bromo4((3chlorophenyl)methoxy)5ethoxyphenyl)5oxo4678tetrahydrochromene3carbonitrile
CCOC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br)OCC4=CC(=CC=C4)Cl
InChI=1SC25H22BrClN2O4c1231211115(1018(26)24(21)32131453616(27)914)2217(1228)25(29)332084719(30)23(20)22h35691122H24781329H21H3
MFCD05816067
ZINC000001119437
ZINC000001119439
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