Vitas-M small molecule compound
dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate]
Catalog ID
STL547070
SMILES COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1cc(OC)c2c(c1)OCO2)CC(=O)OC)c1cc(OC)c2c(c1)OCO2
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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 C30H28O14 MW 612.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28O14/c1-37-17-5-13(7-19-29(17)43-11-41-19)15(9-21(31)39-3)23-25(33)27(35)24(28(36)26(23)34)16(10-22(32)40-4)14-6-18(38-2)30-20(8-14)42-12-44-30/h5-8,15-16,33,36H,9-12H2,1-4H3InChIKey
VRBDFFRIBLXNRZ-UHFFFAOYSA-NSynonyms
1676078-99-1102564807
1676078991
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(7methoxy13benzodioxol5yl)propanoate)
DIMETHYL33(25DIHYDROXY36DIOXOCYCLOHEXA14DIENE14DIYL)BIS(3(7METHOXYBENZO(D)(13)DIOXOL5YL)PROPANOATE)
InChI=1SC30H28O14c13717513(71929(17)43114119)15(921(31)393)2325(33)27(35)24(28(36)26(23)34)16(1022(32)404)14618(382)3020(814)42124430h5815163336H912H214H3
methyl3(25dihydroxy4(3methoxy1(7methoxy13benzodioxol5yl)3oxopropyl)36dioxocyclohexa14dien1yl)3(7methoxy13benzodioxol5yl)propanoate
MFCD28985699
ZINC000218034534
ZINC000218034691
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