Vitas-M small molecule compound

ethyl 5-({2-[(2-fluorobenzyl)oxy]-3-methoxybenzyl}amino)-2-(morpholin-4-yl)benzoate

Catalog ID
STK188600
SMILES CCOC(=O)c1cc(NCc2cccc(c2OCc2ccccc2F)OC)ccc1N1CCOCC1

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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 C28H31FN2O5 MW 494.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31FN2O5/c1-3-35-28(32)23-17-22(11-12-25(23)31-13-15-34-16-14-31)30-18-20-8-6-10-26(33-2)27(20)36-19-21-7-4-5-9-24(21)29/h4-12,17,30H,3,13-16,18-19H2,1-2H3
InChIKey
HNCPKKPUQJZXCX-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C=CC(=C1)NCC2=C(C(=CC=C2)OC)OCC3=CC=CC=C3F)N4CCOCC4
ETHYL5((2((2FLUOROBENZYL)OXY)3METHOXYBENZYL)AMINO)2(MORPHOLIN4YL)BENZOATE
ETHYL5((2((2FLUOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLAMINO)2MORPHOLIN4YLBENZOATE
InChI=1SC28H31FN2O5c133528(32)231722(111225(23)31131534161431)301820861026(332)27(20)361921745924(21)29h4121730H313161819H212H3
MFCD06664705
ZINC000009907732
ZINC09907732
ZINC9907732

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Available files

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