Vitas-M small molecule compound

7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3,6,7-trimethyl-1-benzofuran-2-carboxylate

Catalog ID
STK516388
SMILES COc1ccc(cc1)c1cc(OC(=O)c2oc3c(c2C)ccc(c3C)C)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 C26H20O6S MW 460.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20O6S/c1-13-5-10-19-15(3)23(31-22(19)14(13)2)25(27)30-18-11-20(16-6-8-17(29-4)9-7-16)24-21(12-18)33-26(28)32-24/h5-12H,1-4H3
InChIKey
PIRYYSOPOQPYEG-UHFFFAOYSA-N
Synonyms

(7(4methoxyphenyl)2oxo13benzoxathiol5yl)367trimethyl1benzofuran2carboxylate
7(4methoxyphenyl)2oxo13benzoxathiol5yl367trimethyl1benzofuran2carboxylate
CC1=C(C2=C(C=C1)C(=C(O2)C(=O)OC3=CC4=C(C(=C3)C5=CC=C(C=C5)OC)OC(=O)S4)C)C
InChI=1SC26H20O6Sc1135101915(3)23(3122(19)14(13)2)25(27)30181120(166817(294)9716)2421(1218)3326(28)3224h512H14H3
MFCD06645641
ZINC000009430749
ZINC09430749
ZINC9430749

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Available files

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