Vitas-M small molecule compound
ethyl 2-amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STK968209
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1cc(COc3ccccc3Br)c(cc1C)C)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 C27H28BrNO5 MW 526.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28BrNO5/c1-4-32-27(31)25-23(24-20(30)9-7-11-22(24)34-26(25)29)18-13-17(15(2)12-16(18)3)14-33-21-10-6-5-8-19(21)28/h5-6,8,10,12-13,23H,4,7,9,11,14,29H2,1-3H3InChIKey
QOJNKXCPDUBYFF-UHFFFAOYSA-NSynonyms
438225-04-8438225048
CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3C)C)COC4=CC=CC=C4Br)C(=O)CCC2)N
ethyl2amino4(5((2bromophenoxy)methyl)24dimethylphenyl)5oxo4678tetrahydrochromene3carboxylate
ethyl2amino4(5((2bromophenoxy)methyl)24dimethylphenyl)5oxo5678tetrahydro4Hchromene3carboxylate
InChI=1SC27H28BrNO5c143227(31)2523(2420(30)971122(24)3426(25)29)181317(15(2)1216(18)3)1433211065819(21)28h56810121323H479111429H213H3
MFCD03074892
ZINC000002749545
ZINC000002749546
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