Vitas-M small molecule compound

methyl 3-(7-hydroxy-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)propanoate

Catalog ID
STL312500
SMILES COC(=O)CC(c1c(C)[nH]nc1O)c1cc2cc3OCCOc3cc2nc1O

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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 C19H19N3O6 MW 385.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O6/c1-9-17(19(25)22-21-9)11(7-16(23)26-2)12-5-10-6-14-15(28-4-3-27-14)8-13(10)20-18(12)24/h5-6,8,11H,3-4,7H2,1-2H3,(H,20,24)(H2,21,22,25)
InChIKey
SZXNQXIVXHYEQL-UHFFFAOYSA-N
Synonyms
1435995-54-2
1435995542
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=CC3=CC4=C(C=C3NC2=O)OCCO4
COC(=O)CC(c1c(C)(nH)nc1O)c1cc2cc3OCCOc3cc2nc1O
InChI=1SC19H19N3O6c1917(19(25)22219)11(716(23)262)1251061415(28432714)813(10)2018(12)24h56811H347H212H3(H2024)(H2212225)
methyl3(3methyl5oxo12dihydropyrazol4yl)3(7oxo36dihydro2H(14)dioxino(23g)quinolin8yl)propanoate
methyl3(7hydroxy23dihydro(14)dioxino(23g)quinolin8yl)3(3hydroxy5methyl1Hpyrazol4yl)propanoate
MFCD28026692
ZINC000095474844
ZINC000095474845

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Available files

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