Vitas-M small molecule compound
7-(4-bromophenyl)-2-thioxo-1,3-benzoxathiol-5-yl benzoate
Catalog ID
STL017251
SMILES Brc1ccc(cc1)c1cc(OC(=O)c2ccccc2)cc2c1oc(=S)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 C20H11BrO3S2 MW 443.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H11BrO3S2/c21-14-8-6-12(7-9-14)16-10-15(11-17-18(16)24-20(25)26-17)23-19(22)13-4-2-1-3-5-13/h1-11HInChIKey
UXGWELVSEZIRDZ-UHFFFAOYSA-NSynonyms
(7(4BROMOPHENYL)2SULFANYLIDENE13BENZOXATHIOL5YL)BENZOATE
7(4bromophenyl)2thioxo13benzoxathiol5ylbenzoate
7(4BROMOPHENYL)2THIOXOBENZO(34D)13OXATHIOLEN5YLBENZOATE
C1=CC=C(C=C1)C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)Br)OC(=S)S3
InChI=1SC20H11BrO3S2c21148612(7914)161015(111718(16)2420(25)2617)2319(22)134213513h111H
MFCD05827263
ZINC000008951617
ZINC08951617
ZINC8951617
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