Vitas-M small molecule compound

ethyl 2-amino-4-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

Catalog ID
STK961091
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1ccc(c(c1)COc1ccc(cc1Br)Cl)OC)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 C26H25BrClNO6 MW 562.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrClNO6/c1-3-33-26(31)24-22(23-18(30)5-4-6-21(23)35-25(24)29)14-7-9-19(32-2)15(11-14)13-34-20-10-8-16(28)12-17(20)27/h7-12,22H,3-6,13,29H2,1-2H3
InChIKey
JIVWCKYZHBWILU-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)OC)COC4=C(C=C(C=C4)Cl)Br)C(=O)CCC2)N
ethyl2amino4(3((2bromo4chlorophenoxy)methyl)4methoxyphenyl)5oxo4678tetrahydrochromene3carboxylate
ethyl2amino4(3((2bromo4chlorophenoxy)methyl)4methoxyphenyl)5oxo5678tetrahydro4Hchromene3carboxylate
InChI=1SC26H25BrClNO6c133326(31)2422(2318(30)54621(23)3525(24)29)147919(322)15(1114)13342010816(28)1217(20)27h71222H361329H212H3
MFCD02243900
ZINC000002769805
ZINC000002769806

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Available files

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