Vitas-M small molecule compound

7-(3-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-chlorobenzoate

Catalog ID
STL111887
SMILES Cc1cccc(c1)c1cc(OC(=O)c2ccccc2Cl)cc2c1oc(=O)s2

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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 C21H13ClO4S MW 396.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClO4S/c1-12-5-4-6-13(9-12)16-10-14(11-18-19(16)26-21(24)27-18)25-20(23)15-7-2-3-8-17(15)22/h2-11H,1H3
InChIKey
LITHGJAFKDBTHI-UHFFFAOYSA-N
Synonyms

(7(3METHYLPHENYL)2OXO13BENZOXATHIOL5YL)2CHLOROBENZOATE
7(3methylphenyl)2oxo13benzoxathiol5yl2chlorobenzoate
CC1=CC=CC(=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=CC=C4Cl
InChI=1SC21H13ClO4Sc11254613(912)161014(111819(16)2621(24)2718)2520(23)15723817(15)22h211H1H3
MFCD01918015
ZINC000002834795
ZINC02834795
ZINC2834795

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Available files

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