Vitas-M small molecule compound
N-(3,4-dichlorophenyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanamide
Catalog ID
STL435059
SMILES COc1cc(cc2c1OCO2)C(c1c(O)cc(oc1=O)C)CC(=O)Nc1ccc(c(c1)Cl)Cl
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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 C23H19Cl2NO7 MW 492.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19Cl2NO7/c1-11-5-17(27)21(23(29)33-11)14(9-20(28)26-13-3-4-15(24)16(25)8-13)12-6-18(30-2)22-19(7-12)31-10-32-22/h3-8,14,27H,9-10H2,1-2H3,(H,26,28)InChIKey
JTOTWYYIIGMNQE-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C(=O)O1)C(CC(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=CC4=C(C(=C3)OC)OCO4)O
InChI=1SC23H19Cl2NO7c111517(27)21(23(29)3311)14(920(28)26133415(24)16(25)813)12618(302)2219(712)31103222h381427H910H212H3(H2628)
MFCD30711603
N(34dichlorophenyl)3(4hydroxy6methyl2oxo2Hpyran3yl)3(7methoxy13benzodioxol5yl)propanamide
N(34dichlorophenyl)3(4hydroxy6methyl2oxopyran3yl)3(7methoxy13benzodioxol5yl)propanamide
ZINC000253471001
ZINC000253471002
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