Vitas-M small molecule compound
3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-N-(4-fluoro-3-nitrophenyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)propanamide
Catalog ID
STL435014
SMILES COc1c2OCOc2c(cc1C(c1c(O)cc(oc1=O)C)CC(=O)Nc1ccc(c(c1)[N+](=O)[O-])F)OC
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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 C24H21FN2O10 MW 516.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21FN2O10/c1-11-6-17(28)20(24(30)37-11)13(9-19(29)26-12-4-5-15(25)16(7-12)27(31)32)14-8-18(33-2)22-23(21(14)34-3)36-10-35-22/h4-8,13,28H,9-10H2,1-3H3,(H,26,29)InChIKey
ZWUCCNKSMPHUEO-UHFFFAOYSA-NSynonyms
3(47dimethoxy13benzodioxol5yl)N(4fluoro3nitrophenyl)3(4hydroxy6methyl2oxo2Hpyran3yl)propanamide
3(47dimethoxy13benzodioxol5yl)N(4fluoro3nitrophenyl)3(4hydroxy6methyl2oxopyran3yl)propanamide
CC1=CC(=C(C(=O)O1)C(CC(=O)NC2=CC(=C(C=C2)F)(N+)(=O)(O))C3=CC(=C4C(=C3OC)OCO4)OC)O
COc1c2OCOc2c(cc1C(c1c(O)cc(oc1=O)C)CC(=O)Nc1ccc(c(c1)(N+)(=O)(O))F)OC
InChI=1SC24H21FN2O10c111617(28)20(24(30)3711)13(919(29)26124515(25)16(712)27(31)32)14818(332)2223(21(14)343)36103522h481328H910H213H3(H2629)
MFCD30711558
ZINC000253471798
ZINC000253471799
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