Vitas-M small molecule compound

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

Catalog ID
STL089767
SMILES CC(=O)c1ccc2c(c1)OCCOCCOCCO2

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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 C14H18O5 MW 266.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18O5/c1-11(15)12-2-3-13-14(10-12)19-9-7-17-5-4-16-6-8-18-13/h2-3,10H,4-9H2,1H3
InChIKey
AUPGKWAIZPQCOA-UHFFFAOYSA-N
Synonyms
107996-83-8
1(235689hexahydro14710benzotetraoxacyclododecin12yl)ethanone
1(235689hexahydrobenzo(b)(14710)tetraoxacyclododecin12yl)ethanone
1(25811tetraoxabicyclo(1040)hexadeca1(12)1315trien14yl)ethanone
107996838
CC(=O)C1=CC2=C(C=C1)OCCOCCOCCO2
InChI=1SC14H18O5c111(15)12231314(1012)1997175416681813h2310H49H21H3
MFCD00430544
ZINC000000074724
ZINC00074724
ZINC74724

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Available files

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