Vitas-M small molecule compound
methyl 2-amino-4-{2-[(2-cyanobenzyl)oxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL379746
SMILES COC(=O)C1=C(N)OC2=C(C1c1ccccc1OCc1ccccc1C#N)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 C25H22N2O5 MW 430.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O5/c1-30-25(29)23-21(22-18(28)10-6-12-20(22)32-24(23)27)17-9-4-5-11-19(17)31-14-16-8-3-2-7-15(16)13-26/h2-5,7-9,11,21H,6,10,12,14,27H2,1H3InChIKey
AULIIUMCIUATOB-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(OC2=C(C1C3=CC=CC=C3OCC4=CC=CC=C4C#N)C(=O)CCC2)N
InChI=1SC25H22N2O5c13025(29)2321(2218(28)1061220(22)3224(23)27)179451119(17)311416832715(16)1326h25791121H610121427H21H3
methyl2amino4(2((2cyanobenzyl)oxy)phenyl)5oxo5678tetrahydro4Hchromene3carboxylate
methyl2amino4(2((2cyanophenyl)methoxy)phenyl)5oxo4678tetrahydrochromene3carboxylate
MFCD05816070
ZINC000001119713
ZINC000001119715
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Check stock on Vitas-MAvailable files
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