Vitas-M small molecule compound
[1-{bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}-3-phenoxypropan-2-olato(3-)-kappaO]boron
Catalog ID
STL322794
SMILES O1CC[N+]23[B-]1(OCC2)OC(C3)COc1ccccc1
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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 C13H18BNO4 MW 263.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18BNO4/c1-2-4-12(5-3-1)16-11-13-10-15-6-8-17-14(15,19-13)18-9-7-15/h1-5,13H,6-11H2InChIKey
ICTVANSPAWUTNR-UHFFFAOYSA-NSynonyms
(1(bis(2(hydroxykappaO)ethyl)aminokappaN)3phenoxypropan2olato(3)kappaO)boron
(4s8s)2(phenoxymethyl)tetrahydro84(epoxyethano)(132)oxazaborolo(23b)(132)oxazaborol4ium8uide
(B)123(N+)(CCO1)(CCO2)CC(O3)COC4=CC=CC=C4
InChI=1SC13H18BNO4c12412(531)1611131015681714(151913)189715h1513H611H2
MFCD00432665
O1CC(N@@+)23(B@@)1(OCC2)OC(C3)COc1ccccc1
O1CC(N+)23(B)1(OCC2)OC(C3)COc1ccccc1
ZINC000169830805
ZINC000169830807
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