Vitas-M small molecule compound
[1-{bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}-3-(4-ethylphenoxy)propan-2-olato(3-)-kappaO]boron
Catalog ID
STL325331
SMILES CCc1ccc(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 C15H22BNO4 MW 291.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H22BNO4/c1-2-13-3-5-14(6-4-13)18-12-15-11-17-7-9-19-16(17,21-15)20-10-8-17/h3-6,15H,2,7-12H2,1H3InChIKey
BOORSZFOUGVWOZ-UHFFFAOYSA-NSynonyms
(1(bis(2(hydroxykappaO)ethyl)aminokappaN)3(4ethylphenoxy)propan2olato(3)kappaO)boron
(4s8s)2((4ethylphenoxy)methyl)tetrahydro84(epoxyethano)(132)oxazaborolo(23b)(132)oxazaborol4ium8uide
(B)123(N+)(CCO1)(CCO2)CC(O3)COC4=CC=C(C=C4)CC
CCc1ccc(cc1)OCC1O(B)23(N+)(C1)(CCO3)CCO2
CCc1ccc(cc1)OCC1O(B@)23(N@@+)(C1)(CCO3)CCO2
InChI=1SC15H22BNO4c12133514(6413)1812151117791916(172115)2010817h3615H2712H21H3
MFCD00412053
ZINC000195790753
ZINC000195790755
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