Vitas-M small molecule compound
methyl 3-[3-acetyl-2,6-dihydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)phenyl]-3-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoate
Catalog ID
STL549313
SMILES COC(=O)CC(c1c(O)c(cc(c1O)C1OCc2c1c(O)c(nc2)C)C(=O)C)c1cc(OC)c2c(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 C29H29NO10 MW 551.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO10/c1-13-25(33)23-16(11-30-13)12-40-28(23)19-9-17(14(2)31)26(34)24(27(19)35)18(10-22(32)37-4)15-7-20(36-3)29-21(8-15)38-5-6-39-29/h7-9,11,18,28,33-35H,5-6,10,12H2,1-4H3InChIKey
LLHYTDSXYGJQTM-UHFFFAOYSA-NSynonyms
129895006
InChI=1SC29H29NO10c11325(33)2316(113013)124028(23)19917(14(2)31)26(34)24(27(19)35)18(1022(32)374)15720(363)2921(815)38563929h791118283335H561012H214H3
methyl3(3acetyl26dihydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin1yl)phenyl)3(5methoxy23dihydro14benzodioxin7yl)propanoate
methyl3(3acetyl26dihydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin1yl)phenyl)3(8methoxy23dihydro14benzodioxin6yl)propanoate
methyl3(3acetyl26dihydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin1yl)phenyl)3(8methoxy23dihydrobenzo(b)(14)dioxin6yl)propanoate
MFCD31756913
ZINC000524729833
ZINC000524729836
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