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-yl)phenyl]propanoate}
Catalog ID
STL543764
SMILES COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(cc1)C(C)C)CC(=O)OC)c1ccc(cc1)C(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 C32H36O8 MW 548.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36O8/c1-17(2)19-7-11-21(12-8-19)23(15-25(33)39-5)27-29(35)31(37)28(32(38)30(27)36)24(16-26(34)40-6)22-13-9-20(10-14-22)18(3)4/h7-14,17-18,23-24,35,38H,15-16H2,1-6H3InChIKey
HMWHXBUCCWOTRB-UHFFFAOYSA-NSynonyms
1676053-50-1102564476
1676053501
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(4(propan2yl)phenyl)propanoate)
DIMETHYL33(25DIHYDROXY36DIOXOCYCLOHEXA14DIENE14DIYL)BIS(3(4ISOPROPYLPHENYL)PROPANOATE)
InChI=1SC32H36O8c117(2)1971121(12819)23(1525(33)395)2729(35)31(37)28(32(38)30(27)36)24(1626(34)406)2213920(101422)18(3)4h714171823243538H1516H216H3
methyl3(25dihydroxy4(3methoxy3oxo1(4propan2ylphenyl)propyl)36dioxocyclohexa14dien1yl)3(4propan2ylphenyl)propanoate
MFCD28985373
ZINC000217946905
ZINC000217947072
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