Vitas-M small molecule compound
dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate]
Catalog ID
STL543022
SMILES COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1ccc2c(c1)OCCO2)CC(=O)OC)c1ccc2c(c1)OCCO2
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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 C30H28O12 MW 580.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28O12/c1-37-23(31)13-17(15-3-5-19-21(11-15)41-9-7-39-19)25-27(33)29(35)26(30(36)28(25)34)18(14-24(32)38-2)16-4-6-20-22(12-16)42-10-8-40-20/h3-6,11-12,17-18,33,36H,7-10,13-14H2,1-2H3InChIKey
CCRBSYCGOZFJCO-UHFFFAOYSA-NSynonyms
1676079-22-3102564485
1676079223
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(23dihydro14benzodioxin6yl)propanoate)
DIMETHYL33(25DIHYDROXY36DIOXOCYCLOHEXA14DIENE14DIYL)BIS(3(23DIHYDROBENZO(B)(14)DIOXIN6YL)PROPANOATE)
InChI=1SC30H28O12c13723(31)1317(15351921(1115)41973919)2527(33)29(35)26(30(36)28(25)34)18(1424(32)382)16462022(1216)421084020h36111217183336H7101314H212H3
methyl3(23dihydro14benzodioxin6yl)3(4(1(23dihydro14benzodioxin6yl)3methoxy3oxopropyl)25dihydroxy36dioxocyclohexa14dien1yl)propanoate
MFCD28985382
ZINC000217948995
ZINC000217949164
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