Vitas-M small molecule compound

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

Catalog ID
STL379743
SMILES COC(=O)C1=C(N)OC2=C(C1c1ccc(cc1)OCc1ccccc1Cl)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 C24H22ClNO5 MW 439.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClNO5/c1-29-24(28)22-20(21-18(27)7-4-8-19(21)31-23(22)26)14-9-11-16(12-10-14)30-13-15-5-2-3-6-17(15)25/h2-3,5-6,9-12,20H,4,7-8,13,26H2,1H3
InChIKey
AUFFWPHMKSNARH-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)OCC4=CC=CC=C4Cl)C(=O)CCC2)N
InChI=1SC24H22ClNO5c12924(28)2220(2118(27)74819(21)3123(22)26)1491116(121014)301315523617(15)25h235691220H4781326H21H3
methyl2amino4(4((2chlorobenzyl)oxy)phenyl)5oxo5678tetrahydro4Hchromene3carboxylate
methyl2amino4(4((2chlorophenyl)methoxy)phenyl)5oxo4678tetrahydrochromene3carboxylate
MFCD04087035
ZINC000001101089
ZINC000001101090

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Available files

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