Vitas-M small molecule compound

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

Catalog ID
STK968431
SMILES COC(=O)C1=C(N)OC2=C(C1c1ccc(c(c1)COc1ccc(cc1Cl)Br)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 C25H23BrClNO6 MW 548.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrClNO6/c1-31-18-8-6-13(10-14(18)12-33-19-9-7-15(26)11-16(19)27)21-22-17(29)4-3-5-20(22)34-24(28)23(21)25(30)32-2/h6-11,21H,3-5,12,28H2,1-2H3
InChIKey
FAUBXMBBJXVBST-UHFFFAOYSA-N
Synonyms
678546-56-0
678546560
COC1=C(C=C(C=C1)C2C3=C(CCCC3=O)OC(=C2C(=O)OC)N)COC4=C(C=C(C=C4)Br)Cl
InChI=1SC25H23BrClNO6c131188613(1014(18)1233199715(26)1116(19)27)212217(29)43520(22)3424(28)23(21)25(30)322h61121H351228H212H3
methyl2amino4(3((4bromo2chlorophenoxy)methyl)4methoxyphenyl)5oxo4678tetrahydrochromene3carboxylate
methyl2amino4(3((4bromo2chlorophenoxy)methyl)4methoxyphenyl)5oxo5678tetrahydro4Hchromene3carboxylate
MFCD02609411
ZINC000002801727
ZINC000002801728

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Available files

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