Vitas-M small molecule compound
2-amino-4-{3-bromo-4-[(2,4-dichlorobenzyl)oxy]-5-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL379726
SMILES N#CC1=C(N)OC2=C(C1c1cc(Br)c(c(c1)OC)OCc1ccc(cc1Cl)Cl)C(=O)CCC2
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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 C24H19BrCl2N2O4 MW 550.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19BrCl2N2O4/c1-31-20-8-13(7-16(25)23(20)32-11-12-5-6-14(26)9-17(12)27)21-15(10-28)24(29)33-19-4-2-3-18(30)22(19)21/h5-9,21H,2-4,11,29H2,1H3InChIKey
IGNLTLUOSQIZFE-UHFFFAOYSA-NSynonyms
2amino4(3bromo4((24dichlorobenzyl)oxy)5methoxyphenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(3bromo4((24dichlorophenyl)methoxy)5methoxyphenyl)5oxo4678tetrahydrochromene3carbonitrile
COC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br)OCC4=C(C=C(C=C4)Cl)Cl
InChI=1SC24H19BrCl2N2O4c13120813(716(25)23(20)3211125614(26)917(12)27)2115(1028)24(29)331942318(30)22(19)21h5921H241129H21H3
MFCD05985771
ZINC000001146855
ZINC000001146858
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