Vitas-M small molecule compound

methyl 3-(7-chloro-1,3-benzodioxol-5-yl)-3-(2,4-dihydroxy-6-methylpyridin-3-yl)propanoate

Catalog ID
STL250815
SMILES COC(=O)CC(c1c(O)cc(nc1O)C)c1cc(Cl)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 C17H16ClNO6 MW 365.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClNO6/c1-8-3-12(20)15(17(22)19-8)10(6-14(21)23-2)9-4-11(18)16-13(5-9)24-7-25-16/h3-5,10H,6-7H2,1-2H3,(H2,19,20,22)
InChIKey
UXIWFBPBZGRWGH-UHFFFAOYSA-N
Synonyms
1374514-31-4
1374514314
CC1=CC(=C(C(=O)N1)C(CC(=O)OC)C2=CC3=C(C(=C2)Cl)OCO3)O
InChI=1SC17H16ClNO6c18312(20)15(17(22)198)10(614(21)232)9411(18)1613(59)2472516h3510H67H212H3(H2192022)
methyl3(7chloro13benzodioxol5yl)3(24dihydroxy6methylpyridin3yl)propanoate
methyl3(7chloro13benzodioxol5yl)3(4hydroxy6methyl2oxo1Hpyridin3yl)propanoate
MFCD24852474
ZINC000072404448
ZINC000072404449

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Available files

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