Vitas-M small molecule compound
[1-{bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}-3-(2,4-dibromophenoxy)propan-2-olato(3-)-kappaO]boron
Catalog ID
STL059307
SMILES Brc1ccc(c(c1)Br)OCC1C[N+]23[B-](O1)(OCC3)OCC2
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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 C13H16BBr2NO4 MW 420.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16BBr2NO4/c15-10-1-2-13(12(16)7-10)18-9-11-8-17-3-5-19-14(17,21-11)20-6-4-17/h1-2,7,11H,3-6,8-9H2InChIKey
RGUGXDGXVYQLHG-UHFFFAOYSA-NSynonyms
(1(bis(2(hydroxykappaO)ethyl)aminokappaN)3(24dibromophenoxy)propan2olato(3)kappaO)boron
(B)123(N+)(CCO1)(CCO2)CC(O3)COC4=C(C=C(C=C4)Br)Br
2((24dibromophenoxy)methyl)tetrahydro84(epoxyethano)(132)oxazaborolo(23b)(132)oxazaborol4ium8uide
Brc1ccc(c(c1)Br)OCC1C(N+)23(B)(O1)(OCC3)OCC2
InChI=1SC13H16BBr2NO4c15101213(12(16)710)18911817351914(172111)206417h12711H3689H2
MFCD01876399
ZINC000195815902
ZINC000195815903
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