Vitas-M small molecule compound
7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-chlorobenzoate
Catalog ID
STK516240
SMILES COc1ccc(cc1)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 C21H13ClO5S MW 412.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClO5S/c1-25-13-8-6-12(7-9-13)16-10-14(11-18-19(16)27-21(24)28-18)26-20(23)15-4-2-3-5-17(15)22/h2-11H,1H3InChIKey
QZJDHXVYHOPIKY-UHFFFAOYSA-NSynonyms
327078-48-8(7(4METHOXYPHENYL)2OXO13BENZOXATHIOL5YL)2CHLOROBENZOATE
327078488
7(4methoxyphenyl)2oxo13benzoxathiol5yl2chlorobenzoate
7(4methoxyphenyl)2oxobenzo(d)(13)oxathiol5yl2chlorobenzoate
COC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=CC=C4Cl
InChI=1SC21H13ClO5Sc125138612(7913)161014(111819(16)2721(24)2818)2620(23)15423517(15)22h211H1H3
MFCD01918016
ZINC000001827041
ZINC01827041
ZINC1827041
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