Vitas-M small molecule compound

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

Catalog ID
STK195089
SMILES COC(=O)c1cc(NCc2cccc(c2OCc2ccc(cc2)F)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 C27H29FN2O5 MW 480.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29FN2O5/c1-32-25-5-3-4-20(26(25)35-18-19-6-8-21(28)9-7-19)17-29-22-10-11-24(23(16-22)27(31)33-2)30-12-14-34-15-13-30/h3-11,16,29H,12-15,17-18H2,1-2H3
InChIKey
RBYFQTFXWFLFLV-UHFFFAOYSA-N
Synonyms

COC1=CC=CC(=C1OCC2=CC=C(C=C2)F)CNC3=CC(=C(C=C3)N4CCOCC4)C(=O)OC
InChI=1SC27H29FN2O5c1322553420(26(25)3518196821(28)9719)172922101124(23(1622)27(31)332)30121434151330h3111629H12151718H212H3
METHYL5((2((4FLUOROBENZYL)OXY)3METHOXYBENZYL)AMINO)2(MORPHOLIN4YL)BENZOATE
METHYL5((2((4FLUOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLAMINO)2MORPHOLIN4YLBENZOATE
MFCD06665553
ZINC000009933555
ZINC09933555
ZINC9933555

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Available files

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