Vitas-M small molecule compound
5-({3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]benzyl}amino)-2-(morpholin-4-yl)benzoic acid
Catalog ID
STK171765
SMILES CCOc1cc(CNc2ccc(c(c2)C(=O)O)N2CCOCC2)cc(c1OCc1ccc(cc1)F)Br
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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 C27H28BrFN2O5 MW 559.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28BrFN2O5/c1-2-35-25-14-19(13-23(28)26(25)36-17-18-3-5-20(29)6-4-18)16-30-21-7-8-24(22(15-21)27(32)33)31-9-11-34-12-10-31/h3-8,13-15,30H,2,9-12,16-17H2,1H3,(H,32,33)InChIKey
AZJMEHYXZJJDPA-UHFFFAOYSA-NSynonyms
5((3BROMO5ETHOXY4((4FLUOROBENZYL)OXY)BENZYL)AMINO)2(MORPHOLIN4YL)BENZOICACID
5((3BROMO5ETHOXY4((4FLUOROPHENYL)METHOXY)PHENYL)METHYLAMINO)2MORPHOLIN4YLBENZOICACID
CCOC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)Br)OCC4=CC=C(C=C4)F
InChI=1SC27H28BrFN2O5c1235251419(1323(28)26(25)3617183520(29)6418)1630217824(22(1521)27(32)33)3191134121031h38131530H29121617H21H3(H3233)
MFCD06663492
ZINC000097948252
ZINC97948252
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