Vitas-M small molecule compound
4-(2-hydroxy-7,7-dimethyl-5-oxo-3,4,5,7-tetrahydrofuro[3,4-b]pyridin-4-yl)benzoic acid
Catalog ID
STL159450
SMILES OC1=NC2=C(C(C1)c1ccc(cc1)C(=O)O)C(=O)OC2(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 C16H15NO5 MW 301.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15NO5/c1-16(2)13-12(15(21)22-16)10(7-11(18)17-13)8-3-5-9(6-4-8)14(19)20/h3-6,10H,7H2,1-2H3,(H,17,18)(H,19,20)InChIKey
XAKITLZCCJWOOY-UHFFFAOYSA-NSynonyms
1310933-88-01310933880
4(2hydroxy77dimethyl5oxo3457tetrahydrofuro(34b)pyridin4yl)benzoicacid
4(77dimethyl25dioxo34dihydro1Hfuro(34b)pyridin4yl)benzoicacid
CC1(C2=C(C(CC(=O)N2)C3=CC=C(C=C3)C(=O)O)C(=O)O1)C
InChI=1SC16H15NO5c116(2)1312(15(21)2216)10(711(18)1713)8359(648)14(19)20h3610H7H212H3(H1718)(H1920)
MFCD20758685
ZINC000101711089
ZINC000101711092
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