Vitas-M small molecule compound
dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis{3-[3-methoxy-4-(propan-2-yloxy)phenyl]propanoate}
Catalog ID
STL545218
SMILES COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc(c(c1)OC)OC(C)C)CC(=O)OC)c1ccc(c(c1)OC)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 C34H40O12 MW 640.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H40O12/c1-17(2)45-23-11-9-19(13-25(23)41-5)21(15-27(35)43-7)29-31(37)33(39)30(34(40)32(29)38)22(16-28(36)44-8)20-10-12-24(46-18(3)4)26(14-20)42-6/h9-14,17-18,21-22,37,40H,15-16H2,1-8H3InChIKey
ILMZEIMERQQJLQ-UHFFFAOYSA-NSynonyms
1676085-89-4102564548
1676085894
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(3methoxy4(propan2yloxy)phenyl)propanoate)
DIMETHYL33(25DIHYDROXY36DIOXOCYCLOHEXA14DIENE14DIYL)BIS(3(4ISOPROPOXY3METHOXYPHENYL)PROPANOATE)
InChI=1SC34H40O12c117(2)452311919(1325(23)415)21(1527(35)437)2931(37)33(39)30(34(40)32(29)38)22(1628(36)448)20101224(4618(3)4)26(1420)426h914171821223740H1516H218H3
methyl3(25dihydroxy4(3methoxy1(3methoxy4propan2yloxyphenyl)3oxopropyl)36dioxocyclohexa14dien1yl)3(3methoxy4propan2yloxyphenyl)propanoate
MFCD28985449
ZINC000217967939
ZINC000217968114
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