Vitas-M small molecule compound
6-(4-fluorophenyl)-2-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]pyridazin-3(2H)-one
Catalog ID
STL162874
SMILES Fc1ccc(cc1)c1ccc(=O)n(n1)CC(=O)N1CCC2(C(C1)CCCC2)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 C21H24FN3O3 MW 385.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24FN3O3/c22-17-6-4-15(5-7-17)18-8-9-19(26)25(23-18)14-20(27)24-12-11-21(28)10-2-1-3-16(21)13-24/h4-9,16,28H,1-3,10-14H2InChIKey
NLJMKDZNLHQVPW-UHFFFAOYSA-NSynonyms
2(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)6(4fluorophenyl)pyridazin3one
6(4fluorophenyl)2(2((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)pyridazin3(2H)one
6(4fluorophenyl)2(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)pyridazin3(2H)one
C1CCC2(CCN(CC2C1)C(=O)CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)F)O
Fc1ccc(cc1)c1ccc(=O)n(n1)CC(=O)N1CC(C@@)2((C@H)(C1)CCCC2)O
InChI=1SC21H24FN3O3c22176415(5717)188919(26)25(2318)1420(27)24121121(28)1021316(21)1324h491628H131014H2
MFCD20759845
ZINC000071282513
ZINC000071335576
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