Vitas-M small molecule compound

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

Catalog ID
STL173725
SMILES COC(=O)C1=C(N)OC2=C(C1c1ccc(o1)COc1ccccc1Br)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 C22H20BrNO6 MW 474.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrNO6/c1-27-22(26)20-19(18-14(25)6-4-8-16(18)30-21(20)24)17-10-9-12(29-17)11-28-15-7-3-2-5-13(15)23/h2-3,5,7,9-10,19H,4,6,8,11,24H2,1H3
InChIKey
VMJHWEJCVCPBOD-UHFFFAOYSA-N
Synonyms
515857-79-1
515857791
COC(=O)C1=C(OC2=C(C1C3=CC=C(O3)COC4=CC=CC=C4Br)C(=O)CCC2)N
InChI=1SC22H20BrNO6c12722(26)2019(1814(25)64816(18)3021(20)24)1710912(2917)112815732513(15)23h235791019H4681124H21H3
methyl2amino4(5((2bromophenoxy)methyl)furan2yl)5oxo4678tetrahydrochromene3carboxylate
methyl2amino4(5((2bromophenoxy)methyl)furan2yl)5oxo5678tetrahydro4Hchromene3carboxylate
MFCD02244021
ZINC000002769967
ZINC000002769968

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.