Vitas-M small molecule compound
{2-[3-{bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}-2-(hydroxy-kappaO)propoxy]-N-phenylbenzamidato(3-)}boron
Catalog ID
STK548652
SMILES O=C(c1ccccc1OCC1C[N+]23[B-](O1)(OCC3)OCC2)Nc1ccccc1
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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 C20H23BN2O5 MW 382.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23BN2O5/c24-20(22-16-6-2-1-3-7-16)18-8-4-5-9-19(18)25-15-17-14-23-10-12-26-21(23,28-17)27-13-11-23/h1-9,17H,10-15H2,(H,22,24)InChIKey
KSEVDTSPHJQIQI-UHFFFAOYSA-NSynonyms
(2(3(bis(2(hydroxykappaO)ethyl)aminokappaN)2(hydroxykappaO)propoxy)Nphenylbenzamidato(3))boron
(B)123(N+)(CCO1)(CCO2)CC(O3)COC4=CC=CC=C4C(=O)NC5=CC=CC=C5
2((2(phenylcarbamoyl)phenoxy)methyl)tetrahydro84(epoxyethano)(132)oxazaborolo(23b)(132)oxazaborol4ium8uide
InChI=1SC20H23BN2O5c2420(22166213716)18845919(18)251517142310122621(232817)27131123h1917H1015H2(H2224)
MFCD02928345
O=C(c1ccccc1OCC1C(N+)23(B)(O1)(OCC3)OCC2)Nc1ccccc1
ZINC000169794813
ZINC000169794814
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