Vitas-M small molecule compound

2-oxo-7-phenyl-1,3-benzoxathiol-5-yl 3-methoxybenzoate

Catalog ID
STK882546
SMILES COc1cccc(c1)C(=O)Oc1cc2sc(=O)oc2c(c1)c1ccccc1

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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 C21H14O5S MW 378.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14O5S/c1-24-15-9-5-8-14(10-15)20(22)25-16-11-17(13-6-3-2-4-7-13)19-18(12-16)27-21(23)26-19/h2-12H,1H3
InChIKey
POBIQAXUDCUBMF-UHFFFAOYSA-N
Synonyms

(2oxo7phenyl13benzoxathiol5yl)3methoxybenzoate
2oxo7phenyl13benzoxathiol5yl3methoxybenzoate
COC1=CC=CC(=C1)C(=O)OC2=CC3=C(C(=C2)C4=CC=CC=C4)OC(=O)S3
InChI=1SC21H14O5Sc1241595814(1015)20(22)25161117(136324713)1918(1216)2721(23)2619h212H1H3
MFCD06646258
ZINC000006809638
ZINC06809638
ZINC6809638

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Available files

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