Vitas-M small molecule compound
ethyl 5-({3-bromo-4-[(4-fluorobenzyl)oxy]-5-methoxybenzyl}amino)-2-(morpholin-4-yl)benzoate
Catalog ID
STK188611
SMILES CCOC(=O)c1cc(NCc2cc(Br)c(c(c2)OC)OCc2ccc(cc2)F)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 C28H30BrFN2O5 MW 573.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrFN2O5/c1-3-36-28(33)23-16-22(8-9-25(23)32-10-12-35-13-11-32)31-17-20-14-24(29)27(26(15-20)34-2)37-18-19-4-6-21(30)7-5-19/h4-9,14-16,31H,3,10-13,17-18H2,1-2H3InChIKey
HAWKHOZXXLXFTH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C=CC(=C1)NCC2=CC(=C(C(=C2)Br)OCC3=CC=C(C=C3)F)OC)N4CCOCC4
ETHYL5((3BROMO4((4FLUOROBENZYL)OXY)5METHOXYBENZYL)AMINO)2(MORPHOLIN4YL)BENZOATE
ethyl5((3bromo4((4fluorophenyl)methoxy)5methoxyphenyl)methylamino)2morpholin4ylbenzoate
InChI=1SC28H30BrFN2O5c133628(33)231622(8925(23)32101235131132)3117201424(29)27(26(1520)342)3718194621(30)7519h49141631H310131718H212H3
MFCD06664716
ZINC000097995641
ZINC97995641
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