Vitas-M small molecule compound

methyl 5-[(3-bromo-4,5-dimethoxybenzyl)amino]-2-(morpholin-4-yl)benzoate

Catalog ID
STK188573
SMILES COC(=O)c1cc(NCc2cc(Br)c(c(c2)OC)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 C21H25BrN2O5 MW 465.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25BrN2O5/c1-26-19-11-14(10-17(22)20(19)27-2)13-23-15-4-5-18(16(12-15)21(25)28-3)24-6-8-29-9-7-24/h4-5,10-12,23H,6-9,13H2,1-3H3
InChIKey
VIHJOPLWSJETEY-UHFFFAOYSA-N
Synonyms

COC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC)Br)OC
InChI=1SC21H25BrN2O5c126191114(1017(22)20(19)272)1323154518(16(1215)21(25)283)2468299724h45101223H6913H213H3
METHYL5((3BROMO45DIMETHOXYBENZYL)AMINO)2(4MORPHOLINYL)BENZOATE
METHYL5((3BROMO45DIMETHOXYBENZYL)AMINO)2(MORPHOLIN4YL)BENZOATE
METHYL5((3BROMO45DIMETHOXYPHENYL)METHYLAMINO)2MORPHOLIN4YLBENZOATE
MFCD06664678
ZINC000009907727
ZINC09907727
ZINC9907727

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Available files

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