Vitas-M small molecule compound
dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis{3-[4-(propan-2-yloxy)phenyl]propanoate}
Catalog ID
STL547020
SMILES COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(cc1)OC(C)C)CC(=O)OC)c1ccc(cc1)OC(C)C
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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 C32H36O10 MW 580.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36O10/c1-17(2)41-21-11-7-19(8-12-21)23(15-25(33)39-5)27-29(35)31(37)28(32(38)30(27)36)24(16-26(34)40-6)20-9-13-22(14-10-20)42-18(3)4/h7-14,17-18,23-24,35,38H,15-16H2,1-6H3InChIKey
IVRGCYVTBVNKGS-UHFFFAOYSA-NSynonyms
1676083-09-2102564853
1676083092
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(4(propan2yloxy)phenyl)propanoate)
DIMETHYL33(25DIHYDROXY36DIOXOCYCLOHEXA14DIENE14DIYL)BIS(3(4ISOPROPOXYPHENYL)PROPANOATE)
InChI=1SC32H36O10c117(2)412111719(81221)23(1525(33)395)2729(35)31(37)28(32(38)30(27)36)24(1626(34)406)2091322(141020)4218(3)4h714171823243538H1516H216H3
methyl3(25dihydroxy4(3methoxy3oxo1(4propan2yloxyphenyl)propyl)36dioxocyclohexa14dien1yl)3(4propan2yloxyphenyl)propanoate
MFCD28985739
ZINC000218045820
ZINC000218045985
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