Vitas-M small molecule compound
4-(2-hydroxy-7,7-dimethyl-5-oxo-3,4,5,7-tetrahydrofuro[3,4-b]pyridin-4-yl)benzonitrile
Catalog ID
STL161179
SMILES N#Cc1ccc(cc1)C1CC(=NC2=C1C(=O)OC2(C)C)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 C16H14N2O3 MW 282.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O3/c1-16(2)14-13(15(20)21-16)11(7-12(19)18-14)10-5-3-9(8-17)4-6-10/h3-6,11H,7H2,1-2H3,(H,18,19)InChIKey
HDCGSTLZEKUHFI-UHFFFAOYSA-NSynonyms
1310941-36-61310941366
4(2hydroxy77dimethyl5oxo3457tetrahydrofuro(34b)pyridin4yl)benzonitrile
4(77dimethyl25dioxo34dihydro1Hfuro(34b)pyridin4yl)benzonitrile
CC1(C2=C(C(CC(=O)N2)C3=CC=C(C=C3)C#N)C(=O)O1)C
InChI=1SC16H14N2O3c116(2)1413(15(20)2116)11(712(19)1814)10539(817)4610h3611H7H212H3(H1819)
MFCD20759291
ZINC000101706850
ZINC000101706853
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