Vitas-M small molecule compound

methyl 3-(2,4-dihydroxy-6-methylpyridin-3-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propanoate

Catalog ID
STL246807
SMILES COC(=O)CC(c1c(O)cc(nc1O)C)c1ccc(c(c1)OC)OCC(C)C

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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 C21H27NO6 MW 389.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO6/c1-12(2)11-28-17-7-6-14(9-18(17)26-4)15(10-19(24)27-5)20-16(23)8-13(3)22-21(20)25/h6-9,12,15H,10-11H2,1-5H3,(H2,22,23,25)
InChIKey
FXCJQYRPSYFJMW-UHFFFAOYSA-N
Synonyms
1374536-37-4
1374536374
CC1=CC(=C(C(=O)N1)C(CC(=O)OC)C2=CC(=C(C=C2)OCC(C)C)OC)O
InChI=1SC21H27NO6c112(2)1128177614(918(17)264)15(1019(24)275)2016(23)813(3)2221(20)25h691215H1011H215H3(H2222325)
methyl3(24dihydroxy6methylpyridin3yl)3(3methoxy4(2methylpropoxy)phenyl)propanoate
methyl3(4hydroxy6methyl2oxo1Hpyridin3yl)3(3methoxy4(2methylpropoxy)phenyl)propanoate
MFCD24860680
ZINC000072406132
ZINC000072406133

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.