Vitas-M small molecule compound
7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 4-chlorobenzoate
Catalog ID
STK520692
SMILES COc1ccc(cc1)c1cc(OC(=O)c2ccc(cc2)Cl)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/c1-25-15-8-4-12(5-9-15)17-10-16(11-18-19(17)27-21(24)28-18)26-20(23)13-2-6-14(22)7-3-13/h2-11H,1H3InChIKey
GBUUYKODHVWJPQ-UHFFFAOYSA-NSynonyms
(7(4METHOXYPHENYL)2OXO13BENZOXATHIOL5YL)4CHLOROBENZOATE
7(4methoxyphenyl)2oxo13benzoxathiol5yl4chlorobenzoate
COC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=C(C=C4)Cl
InChI=1SC21H13ClO5Sc125158412(5915)171016(111819(17)2721(24)2818)2620(23)132614(22)7313h211H1H3
MFCD01819650
ZINC000002185828
ZINC02185828
ZINC2185828
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