Vitas-M small molecule compound

1-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)-2-phenylethanone

Catalog ID
STK524547
SMILES O=C(c1ccc2c(c1)OCCOCCOCCO2)Cc1ccccc1

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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 C20H22O5 MW 342.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22O5/c21-18(14-16-4-2-1-3-5-16)17-6-7-19-20(15-17)25-13-11-23-9-8-22-10-12-24-19/h1-7,15H,8-14H2
InChIKey
LZLUQTZITUCWIV-UHFFFAOYSA-N
Synonyms
141426-16-6
1(235689hexahydro14710benzotetraoxacyclododecin12yl)2phenylethanone
1(235689hexahydrobenzo(b)(14710)tetraoxacyclododecin12yl)2phenylethanone
141426166
2phenyl1(25811tetraoxabicyclo(1040)hexadeca1(12)1315trien14yl)ethanone
C1COCCOC2=C(C=CC(=C2)C(=O)CC3=CC=CC=C3)OCCO1
InChI=1SC20H22O5c2118(14164213516)17671920(1517)25131123982210122419h1715H814H2
MFCD01090266
ZINC000000231453
ZINC00231453
ZINC231453

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Available files

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