Vitas-M small molecule compound
methyl 2-ethyl-2,4,5-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Catalog ID
STK384738
SMILES COC(=O)C1c2cc3C(=O)c4ccccc4C(=O)c3c(c2C(CC1(O)CC)O)O
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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 C22H20O7 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20O7/c1-3-22(28)9-14(23)15-12(17(22)21(27)29-2)8-13-16(20(15)26)19(25)11-7-5-4-6-10(11)18(13)24/h4-8,14,17,23,26,28H,3,9H2,1-2H3InChIKey
JMBNMZNXXIBRQB-UHFFFAOYSA-NSynonyms
CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)O
InChI=1SC22H20O7c1322(28)914(23)1512(17(22)21(27)292)81316(20(15)26)19(25)11754610(11)18(13)24h481417232628H39H212H3
methyl2ethyl245trihydroxy611dioxo1234611hexahydrotetracene1carboxylate
methyl2ethyl245trihydroxy611dioxo34dihydro1Htetracene1carboxylate
MFCD11853263
ZINC000006667726
ZINC000102100711
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