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-(7-methoxy-1,3-benzodioxol-5-yl)propanoate

Catalog ID
STL551235
SMILES COC(=O)CC(c1c(O)c(cc(c1O)C1OCc2c1c(O)c(nc2)C)C(=O)C)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 C28H27NO10 MW 537.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO10/c1-12-24(32)22-15(9-29-12)10-37-27(22)18-7-16(13(2)30)25(33)23(26(18)34)17(8-21(31)36-4)14-5-19(35-3)28-20(6-14)38-11-39-28/h5-7,9,17,27,32-34H,8,10-11H2,1-4H3
InChIKey
DIPBJUHFOKDGMF-UHFFFAOYSA-N
Synonyms

129895709
InChI=1SC28H27NO10c11224(32)2215(92912)103727(22)18716(13(2)30)25(33)23(26(18)34)17(821(31)364)14519(353)2820(614)38113928h57917273234H81011H214H3
methyl3(3acetyl26dihydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin1yl)phenyl)3(7methoxy13benzodioxol5yl)propanoate
methyl3(3acetyl26dihydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin1yl)phenyl)3(7methoxybenzo(d)(13)dioxol5yl)propanoate
MFCD31758019
ZINC000524731600
ZINC000524731603

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Available files

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