Vitas-M small molecule compound

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

Catalog ID
STK961555
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1ccc(c(c1)COc1cccc(c1)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 C26H26BrNO6 MW 528.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrNO6/c1-3-32-26(30)24-22(23-19(29)8-5-9-21(23)34-25(24)28)15-10-11-20(31-2)16(12-15)14-33-18-7-4-6-17(27)13-18/h4,6-7,10-13,22H,3,5,8-9,14,28H2,1-2H3
InChIKey
LEMKIGITHWGUGA-UHFFFAOYSA-N
Synonyms
445237-66-1
445237661
CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)OC)COC4=CC(=CC=C4)Br)C(=O)CCC2)N
ethyl2amino4(3((3bromophenoxy)methyl)4methoxyphenyl)5oxo4678tetrahydrochromene3carboxylate
ethyl2amino4(3((3bromophenoxy)methyl)4methoxyphenyl)5oxo5678tetrahydro4Hchromene3carboxylate
InChI=1SC26H26BrNO6c133226(30)2422(2319(29)85921(23)3425(24)28)15101120(312)16(1215)14331874617(27)1318h467101322H35891428H212H3
MFCD02609090
ZINC000000649497
ZINC000000649499

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Available files

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