Vitas-M small molecule compound

methyl 5-[3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]-4,6-dihydroxypyridine-3-carboxylate

Catalog ID
STL545601
SMILES COC(=O)c1cnc(c(c1O)C(c1ccc2c(c1)OCCO2)CC(=O)N)O

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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 C18H18N2O7 MW 374.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O7/c1-25-18(24)11-8-20-17(23)15(16(11)22)10(7-14(19)21)9-2-3-12-13(6-9)27-5-4-26-12/h2-3,6,8,10H,4-5,7H2,1H3,(H2,19,21)(H2,20,22,23)
InChIKey
JHBPMIFMASBHIZ-UHFFFAOYSA-N
Synonyms

110206045
InChI=1SC18H18N2O7c12518(24)1182017(23)15(16(11)22)10(714(19)21)9231213(69)27542612h236810H457H21H3(H21921)(H2202223)
methyl5(3amino1(23dihydro14benzodioxin6yl)3oxopropyl)46dihydroxypyridine3carboxylate
methyl5(3amino1(23dihydro14benzodioxin6yl)3oxopropyl)4hydroxy6oxo1~(H)pyridine3carboxylate
METHYL5(3AMINO1(23DIHYDROBENZO(B)(14)DIOXIN6YL)3OXOPROPYL)4HYDROXY6OXO16DIHYDROPYRIDINE3CARBOXYLATE
MFCD31756260
ZINC000253623737
ZINC000253623738

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Available files

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