Vitas-M small molecule compound

7-(4-ethoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3-methyl-1-benzofuran-2-carboxylate

Catalog ID
STK882004
SMILES CCOc1ccc(cc1)c1cc(cc2c1oc(=O)s2)OC(=O)c1oc2c(c1C)cccc2

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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 C25H18O6S MW 446.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18O6S/c1-3-28-16-10-8-15(9-11-16)19-12-17(13-21-23(19)31-25(27)32-21)29-24(26)22-14(2)18-6-4-5-7-20(18)30-22/h4-13H,3H2,1-2H3
InChIKey
RPHUKEITEOXOCF-UHFFFAOYSA-N
Synonyms

(7(4ethoxyphenyl)2oxo13benzoxathiol5yl)3methyl1benzofuran2carboxylate
7(4ethoxyphenyl)2oxo13benzoxathiol5yl3methyl1benzofuran2carboxylate
CCOC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=C(C5=CC=CC=C5O4)C
InChI=1SC25H18O6Sc13281610815(91116)191217(132123(19)3125(27)3221)2924(26)2214(2)18645720(18)3022h413H3H212H3
MFCD06645923
ZINC000009430754
ZINC09430754
ZINC9430754

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Available files

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