Vitas-M small molecule compound

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

Catalog ID
STK881976
SMILES CCCCC(=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 C18H16O4S MW 328.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16O4S/c1-2-3-9-16(19)21-13-10-14(12-7-5-4-6-8-12)17-15(11-13)23-18(20)22-17/h4-8,10-11H,2-3,9H2,1H3
InChIKey
JYJADZDKQTVYTK-UHFFFAOYSA-N
Synonyms

(2OXO7PHENYL13BENZOXATHIOL5YL)PENTANOATE
2oxo7phenyl13benzoxathiol5ylpentanoate
CCCCC(=O)OC1=CC2=C(C(=C1)C3=CC=CC=C3)OC(=O)S2
InChI=1SC18H16O4Sc123916(19)21131014(127546812)1715(1113)2318(20)2217h481011H239H21H3
MFCD06645903
ZINC000006809655
ZINC06809655
ZINC6809655

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Available files

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