Vitas-M small molecule compound

methyl 3-(2,4-dihydroxy-6-methylpyridin-3-yl)-3-(7-methoxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)propanoate

Catalog ID
STL245276
SMILES COC(=O)CC(c1cc2ccc(cc2n(c1=O)C)OC)c1c(O)cc(nc1O)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 C21H22N2O6 MW 398.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O6/c1-11-7-17(24)19(20(26)22-11)14(10-18(25)29-4)15-8-12-5-6-13(28-3)9-16(12)23(2)21(15)27/h5-9,14H,10H2,1-4H3,(H2,22,24,26)
InChIKey
NJJDQLJHZNVXIX-UHFFFAOYSA-N
Synonyms
1374536-15-8
1374536158
CC1=CC(=C(C(=O)N1)C(CC(=O)OC)C2=CC3=C(C=C(C=C3)OC)N(C2=O)C)O
InChI=1SC21H22N2O6c111717(24)19(20(26)2211)14(1018(25)294)158125613(283)916(12)23(2)21(15)27h5914H10H214H3(H2222426)
methyl3(24dihydroxy6methylpyridin3yl)3(7methoxy1methyl2oxo12dihydroquinolin3yl)propanoate
methyl3(4hydroxy6methyl2oxo1Hpyridin3yl)3(7methoxy1methyl2oxoquinolin3yl)propanoate
MFCD24860208
ZINC000072406066
ZINC000072406067

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Available files

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