Vitas-M small molecule compound
5-({3-chloro-5-ethoxy-4-[(2-fluorobenzyl)oxy]benzyl}amino)-2-(morpholin-4-yl)benzoic acid
Catalog ID
STK188546
SMILES CCOc1cc(CNc2ccc(c(c2)C(=O)O)N2CCOCC2)cc(c1OCc1ccccc1F)Cl
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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 C27H28ClFN2O5 MW 514.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClFN2O5/c1-2-35-25-14-18(13-22(28)26(25)36-17-19-5-3-4-6-23(19)29)16-30-20-7-8-24(21(15-20)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
JUAOQKKBQGBTTP-UHFFFAOYSA-NSynonyms
5((3CHLORO5ETHOXY4((2FLUOROBENZYL)OXY)BENZYL)AMINO)2(MORPHOLIN4YL)BENZOICACID
5((3CHLORO5ETHOXY4((2FLUOROPHENYL)METHOXY)PHENYL)METHYLAMINO)2MORPHOLIN4YLBENZOICACID
CCOC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)Cl)OCC4=CC=CC=C4F
InChI=1SC27H28ClFN2O5c1235251418(1322(28)26(25)361719534623(19)29)1630207824(21(1520)27(32)33)3191134121031h38131530H29121617H21H3(H3233)
MFCD06664651
ZINC000009907712
ZINC9907712
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