Vitas-M small molecule compound

2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine-12-carbaldehyde

Catalog ID
STL089768
SMILES O=Cc1ccc2c(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 C13H16O5 MW 252.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16O5/c14-10-11-1-2-12-13(9-11)18-8-6-16-4-3-15-5-7-17-12/h1-2,9-10H,3-8H2
InChIKey
HSVRXUOTAHPEFF-UHFFFAOYSA-N
Synonyms

235689hexahydro14710benzotetraoxacyclododecine12carbaldehyde
25811tetraoxabicyclo(1040)hexadeca1(12)1315triene14carbaldehyde
C1COCCOC2=C(C=CC(=C2)C=O)OCCO1
InChI=1SC13H16O5c141011121213(911)1886164315571712h12910H38H2
MFCD00805830
ZINC000000074735
ZINC00074735
ZINC74735

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Available files

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