Vitas-M small molecule compound
dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis{3-[4-(methylsulfanyl)phenyl]propanoate}
Catalog ID
STL543732
SMILES COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(cc1)SC)CC(=O)OC)c1ccc(cc1)SC
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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 C28H28O8S2 MW 556.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28O8S2/c1-35-21(29)13-19(15-5-9-17(37-3)10-6-15)23-25(31)27(33)24(28(34)26(23)32)20(14-22(30)36-2)16-7-11-18(38-4)12-8-16/h5-12,19-20,31,34H,13-14H2,1-4H3InChIKey
YDVGSOQWRPTDFQ-UHFFFAOYSA-NSynonyms
1676081-56-3102564749
1676081563
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(4(methylsulfanyl)phenyl)propanoate)
DIMETHYL33(25DIHYDROXY36DIOXOCYCLOHEXA14DIENE14DIYL)BIS(3(4(METHYLTHIO)PHENYL)PROPANOATE)
InChI=1SC28H28O8S2c13521(29)1319(155917(373)10615)2325(31)27(33)24(28(34)26(23)32)20(1422(30)362)1671118(384)12816h51219203134H1314H214H3
methyl3(25dihydroxy4(3methoxy1(4methylsulfanylphenyl)3oxopropyl)36dioxocyclohexa14dien1yl)3(4methylsulfanylphenyl)propanoate
MFCD28985646
ZINC000218018296
ZINC000218018457
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