Vitas-M small molecule compound
{methyl 4-[3-{bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}-2-(hydroxy-kappaO)propoxy]benzoatato(3-)}boron
Catalog ID
STK548216
SMILES COC(=O)c1ccc(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 C15H20BNO6 MW 321.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20BNO6/c1-19-15(18)12-2-4-13(5-3-12)20-11-14-10-17-6-8-21-16(17,23-14)22-9-7-17/h2-5,14H,6-11H2,1H3InChIKey
UMTBRFLKBSGDRJ-UHFFFAOYSA-NSynonyms
(B)123(N+)(CCO1)(CCO2)CC(O3)COC4=CC=C(C=C4)C(=O)OC
(methyl4(3(bis(2(hydroxykappaO)ethyl)aminokappaN)2(hydroxykappaO)propoxy)benzoatato(3))boron
2((4(methoxycarbonyl)phenoxy)methyl)tetrahydro84(epoxyethano)(132)oxazaborolo(23b)(132)oxazaborol4ium8uide
COC(=O)c1ccc(cc1)OCC1O(B)23(N+)(C1)(CCO3)CCO2
InChI=1SC15H20BNO6c11915(18)122413(5312)2011141017682116(172314)229717h2514H611H21H3
MFCD03131505
ZINC000169851460
ZINC000169851462
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