Vitas-M small molecule compound
5-({3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxybenzyl}amino)-2-(morpholin-4-yl)benzoic acid
Catalog ID
STK171770
SMILES COc1cc(CNc2ccc(c(c2)C(=O)O)N2CCOCC2)cc(c1OCc1ccccc1F)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 C26H26BrFN2O5 MW 545.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrFN2O5/c1-33-24-13-17(12-21(27)25(24)35-16-18-4-2-3-5-22(18)28)15-29-19-6-7-23(20(14-19)26(31)32)30-8-10-34-11-9-30/h2-7,12-14,29H,8-11,15-16H2,1H3,(H,31,32)InChIKey
YBECOKWGCHABRQ-UHFFFAOYSA-NSynonyms
5((3BROMO4((2FLUOROBENZYL)OXY)5METHOXYBENZYL)AMINO)2(MORPHOLIN4YL)BENZOICACID
5((3BROMO4((2FLUOROPHENYL)METHOXY)5METHOXYPHENYL)METHYLAMINO)2MORPHOLIN4YLBENZOICACID
COC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)Br)OCC4=CC=CC=C4F
InChI=1SC26H26BrFN2O5c133241317(1221(27)25(24)351618423522(18)28)1529196723(20(1419)26(31)32)308103411930h27121429H8111516H21H3(H3132)
MFCD06663496
ZINC000097947890
ZINC97947890
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