Vitas-M small molecule compound
7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3-chlorobenzoate
Catalog ID
STK882750
SMILES COc1ccc(cc1)c1cc(OC(=O)c2cccc(c2)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/c1-25-15-7-5-12(6-8-15)17-10-16(11-18-19(17)27-21(24)28-18)26-20(23)13-3-2-4-14(22)9-13/h2-11H,1H3InChIKey
BQCSLPANCDXUFG-UHFFFAOYSA-NSynonyms
(7(4methoxyphenyl)2oxo13benzoxathiol5yl)3chlorobenzoate
7(4methoxyphenyl)2oxo13benzoxathiol5yl3chlorobenzoate
COC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC(=CC=C4)Cl
InChI=1SC21H13ClO5Sc125157512(6815)171016(111819(17)2721(24)2818)2620(23)1332414(22)913h211H1H3
MFCD06646403
ZINC000006809683
ZINC06809683
ZINC6809683
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