Vitas-M small molecule compound

8-ethoxy-6-(3-iodo-4,5-dimethoxyphenyl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-one

Catalog ID
STL182880
SMILES CCOc1cc(cc(=O)c2c1c(C)oc2C)c1cc(I)c(c(c1)OC)OC

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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 C21H21IO5 MW 480.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21IO5/c1-6-26-17-9-14(8-16(23)19-11(2)27-12(3)20(17)19)13-7-15(22)21(25-5)18(10-13)24-4/h7-10H,6H2,1-5H3
InChIKey
XVJWWXHDNAZVII-UHFFFAOYSA-N
Synonyms
858764-96-2
4ETHOXY6(3IODO45DIMETHOXYPHENYL)13DIMETHYLCYCLOHEPTA(C)FURAN8ONE
858764962
8ethoxy6(3iodo45dimethoxyphenyl)13dimethyl4Hcyclohepta(c)furan4one
CCOC1=CC(=CC(=O)C2=C(OC(=C12)C)C)C3=CC(=C(C(=C3)I)OC)OC
InChI=1SC21H21IO5c162617914(816(23)1911(2)2712(3)20(17)19)13715(22)21(255)18(1013)244h710H6H215H3
MFCD04143907
ZINC000002100311
ZINC02100311
ZINC2100311

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Available files

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