Vitas-M small molecule compound
ethyl 2-amino-4-{2-[(4-chlorobenzyl)oxy]phenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL381277
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1ccccc1OCc1ccc(cc1)Cl)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 C25H24ClNO5 MW 453.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClNO5/c1-2-30-25(29)23-21(22-18(28)7-5-9-20(22)32-24(23)27)17-6-3-4-8-19(17)31-14-15-10-12-16(26)13-11-15/h3-4,6,8,10-13,21H,2,5,7,9,14,27H2,1H3InChIKey
LTVCBJRRSYRWJH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3OCC4=CC=C(C=C4)Cl)C(=O)CCC2)N
ethyl2amino4(2((4chlorobenzyl)oxy)phenyl)5oxo5678tetrahydro4Hchromene3carboxylate
ethyl2amino4(2((4chlorophenyl)methoxy)phenyl)5oxo4678tetrahydrochromene3carboxylate
InChI=1SC25H24ClNO5c123025(29)2321(2218(28)75920(22)3224(23)27)17634819(17)311415101216(26)131115h3468101321H25791427H21H3
MFCD04091426
ZINC000000639324
ZINC000000639328
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