Vitas-M small molecule compound
7-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl benzoate
Catalog ID
STK867183
SMILES Cc1ccc(cc1)c1cc(OC(=O)c2ccccc2)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 C21H14O4S MW 362.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14O4S/c1-13-7-9-14(10-8-13)17-11-16(12-18-19(17)25-21(23)26-18)24-20(22)15-5-3-2-4-6-15/h2-12H,1H3InChIKey
RSAQBNHTTMBBHS-UHFFFAOYSA-NSynonyms
327078-60-4(7(4METHYLPHENYL)2OXO13BENZOXATHIOL5YL)BENZOATE
2oxo7(ptolyl)benzo(d)(13)oxathiol5ylbenzoate
327078604
7(4methylphenyl)2oxo13benzoxathiol5ylbenzoate
7(4METHYLPHENYL)2OXOBENZO(34D)13OXATHIOLAN5YLBENZOATE
CC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=CC=C4
InChI=1SC21H14O4Sc1137914(10813)171116(121819(17)2521(23)2618)2420(22)155324615h212H1H3
MFCD01531241
ZINC000001748229
ZINC01748229
ZINC1748229
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