Vitas-M small molecule compound
7-(4-bromophenyl)-2-thioxo-1,3-benzoxathiol-5-yl 4-methylbenzoate
Catalog ID
STL017252
SMILES Cc1ccc(cc1)C(=O)Oc1cc2sc(=S)oc2c(c1)c1ccc(cc1)Br
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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 C21H13BrO3S2 MW 457.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13BrO3S2/c1-12-2-4-14(5-3-12)20(23)24-16-10-17(13-6-8-15(22)9-7-13)19-18(11-16)27-21(26)25-19/h2-11H,1H3InChIKey
QNBQDWVROKFIJF-UHFFFAOYSA-NSynonyms
(7(4BROMOPHENYL)2SULFANYLIDENE13BENZOXATHIOL5YL)4METHYLBENZOATE
7(4bromophenyl)2thioxo13benzoxathiol5yl4methylbenzoate
7(4BROMOPHENYL)2THIOXOBENZO(34D)13OXATHIOLEN5YL4METHYLBENZOATE
CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)Br)OC(=S)S3
InChI=1SC21H13BrO3S2c1122414(5312)20(23)24161017(136815(22)9713)1918(1116)2721(26)2519h211H1H3
MFCD05827264
ZINC000008951618
ZINC08951618
ZINC8951618
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