Vitas-M small molecule compound

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

Catalog ID
STK961504
SMILES COC(=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 C25H24BrNO6 MW 514.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24BrNO6/c1-30-19-10-9-14(11-15(19)13-32-17-6-3-5-16(26)12-17)21-22-18(28)7-4-8-20(22)33-24(27)23(21)25(29)31-2/h3,5-6,9-12,21H,4,7-8,13,27H2,1-2H3
InChIKey
OEKMISGXZVMBOC-UHFFFAOYSA-N
Synonyms
515873-88-8
515873888
COC1=C(C=C(C=C1)C2C3=C(CCCC3=O)OC(=C2C(=O)OC)N)COC4=CC(=CC=C4)Br
InChI=1SC25H24BrNO6c1301910914(1115(19)13321763516(26)1217)212218(28)74820(22)3324(27)23(21)25(29)312h35691221H4781327H212H3
methyl2amino4(3((3bromophenoxy)methyl)4methoxyphenyl)5oxo4678tetrahydrochromene3carboxylate
methyl2amino4(3((3bromophenoxy)methyl)4methoxyphenyl)5oxo5678tetrahydro4Hchromene3carboxylate
MFCD02608598
ZINC000002792924
ZINC000002792925

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Available files

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