Vitas-M small molecule compound
3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
Catalog ID
STL435012
SMILES COc1c(cc(c2c1OCO2)OC)C(c1c(O)cc(oc1=O)C)CC(=O)Nc1ccc(cc1)C(F)(F)F
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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 C25H22F3NO8 MW 521.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22F3NO8/c1-12-8-17(30)20(24(32)37-12)15(10-19(31)29-14-6-4-13(5-7-14)25(26,27)28)16-9-18(33-2)22-23(21(16)34-3)36-11-35-22/h4-9,15,30H,10-11H2,1-3H3,(H,29,31)InChIKey
OPIYHTSWBHWRNZ-UHFFFAOYSA-NSynonyms
3(47dimethoxy13benzodioxol5yl)3(4hydroxy6methyl2oxo2Hpyran3yl)N(4(trifluoromethyl)phenyl)propanamide
3(47dimethoxy13benzodioxol5yl)3(4hydroxy6methyl2oxopyran3yl)N(4(trifluoromethyl)phenyl)propanamide
CC1=CC(=C(C(=O)O1)C(CC(=O)NC2=CC=C(C=C2)C(F)(F)F)C3=CC(=C4C(=C3OC)OCO4)OC)O
InChI=1SC25H22F3NO8c112817(30)20(24(32)3712)15(1019(31)29146413(5714)25(2627)28)16918(332)2223(21(16)343)36113522h491530H1011H213H3(H2931)
MFCD30711556
ZINC000253471276
ZINC000253471277
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