Vitas-M small molecule compound

[butane-1,3-diolato(2-)-kappa~2~O~1~,O~3~](diphenyl)borate(1-)

Catalog ID
STK367817
SMILES CC1CCO[B-](O1)(c1ccccc1)c1ccccc1

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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 C16H18BO2 MW 253.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18BO2/c1-14-12-13-18-17(19-14,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3/q-1
InChIKey
REHUZHLCOFCPTC-UHFFFAOYSA-N
Synonyms

(B)1(OCCC(O1)C)(C2=CC=CC=C2)C3=CC=CC=C3
(butane13diolato(2)kappa~2~O~1~O~3~)(diphenyl)borate(1)
(BUTANE13DIOLATO(2)KAPPA2O1O3)(DIPHENYL)BORATE(1)
4METHYL22DIPHENYL13DIOXA2BORANUIDACYCLOHEXANE
CC1CCO(B)(O1)(c1ccccc1)c1ccccc1
InChI=1SC16H18BO2c11412131817(1914158425915)16106371116h21114H1213H21H3q1
MFCD00687965
ZINC000195889039
ZINC000195889042

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.