Vitas-M small molecule compound
ethyl 6-amino-4-{5-bromo-2-[(4-chlorobenzyl)oxy]phenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STL176465
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1cc(Br)ccc1OCc1ccc(cc1)Cl)C#N)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 C23H20BrClN2O4 MW 503.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20BrClN2O4/c1-3-29-23(28)20-13(2)31-22(27)18(11-26)21(20)17-10-15(24)6-9-19(17)30-12-14-4-7-16(25)8-5-14/h4-10,21H,3,12,27H2,1-2H3InChIKey
GXXQXZMFSHICTI-UHFFFAOYSA-NSynonyms
741288-15-3741288153
CCOC(=O)C1=C(OC(=C(C1C2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)Cl)C#N)N)C
ethyl6amino4(5bromo2((4chlorobenzyl)oxy)phenyl)5cyano2methyl4Hpyran3carboxylate
ETHYL6AMINO4(5BROMO2((4CHLOROPHENYL)METHOXY)PHENYL)5CYANO2METHYL4HPYRAN3CARBOXYLATE
InChI=1SC23H20BrClN2O4c132923(28)2013(2)3122(27)18(1126)21(20)171015(24)6919(17)3012144716(25)8514h41021H31227H212H3
MFCD03883589
ZINC000002743772
ZINC000002743773
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