Vitas-M small molecule compound
methyl 4-{1-[3-acetyl-2,6-dihydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)phenyl]-3-methoxy-3-oxopropyl}benzoate
Catalog ID
STL548821
SMILES COC(=O)CC(c1c(O)c(cc(c1O)C1OCc2c1c(O)c(nc2)C)C(=O)C)c1ccc(cc1)C(=O)OC
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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 C28H27NO9 MW 521.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO9/c1-13-24(32)22-17(11-29-13)12-38-27(22)20-9-18(14(2)30)25(33)23(26(20)34)19(10-21(31)36-3)15-5-7-16(8-6-15)28(35)37-4/h5-9,11,19,27,32-34H,10,12H2,1-4H3InChIKey
LUWPHSCLUGZDGE-UHFFFAOYSA-NSynonyms
122170159
InChI=1SC28H27NO9c11324(32)2217(112913)123827(22)20918(14(2)30)25(33)23(26(20)34)19(1021(31)363)155716(8615)28(35)374h591119273234H1012H214H3
methyl4(1(3acetyl26dihydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin1yl)phenyl)3methoxy3oxopropyl)benzoate
MFCD31756815
ZINC000409415493
ZINC000409415496
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