Vitas-M small molecule compound
[1-{bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}-3-(4-bromophenoxy)propan-2-olato(3-)-kappaO]boron
Catalog ID
STL325427
SMILES Brc1ccc(cc1)OCC1O[B-]23[N+](C1)(CCO3)CCO2
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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 C13H17BBrNO4 MW 342.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17BBrNO4/c15-11-1-3-12(4-2-11)17-10-13-9-16-5-7-18-14(16,20-13)19-8-6-16/h1-4,13H,5-10H2InChIKey
OSJNPTYVZKBLMW-UHFFFAOYSA-NSynonyms
(1(bis(2(hydroxykappaO)ethyl)aminokappaN)3(4bromophenoxy)propan2olato(3)kappaO)boron
(4s8s)2((4bromophenoxy)methyl)tetrahydro84(epoxyethano)(132)oxazaborolo(23b)(132)oxazaborol4ium8uide
(B)123(N+)(CCO1)(CCO2)CC(O3)COC4=CC=C(C=C4)Br
Brc1ccc(cc1)OCC1O(B)23(N+)(C1)(CCO3)CCO2
Brc1ccc(cc1)OCC1O(B@)23(N@@+)(C1)(CCO3)CCO2
InChI=1SC13H17BBrNO4c15111312(4211)171013916571814(162013)198616h1413H510H2
MFCD00422182
ZINC000169794809
ZINC000169794810
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