Vitas-M small molecule compound
6-(2-chlorophenyl)-2-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]pyridazin-3(2H)-one
Catalog ID
STL313439
SMILES O=C(N1CCC2(C(C1)CCCC2)O)Cn1nc(ccc1=O)c1ccccc1Cl
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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 C21H24ClN3O3 MW 401.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24ClN3O3/c22-17-7-2-1-6-16(17)18-8-9-19(26)25(23-18)14-20(27)24-12-11-21(28)10-4-3-5-15(21)13-24/h1-2,6-9,15,28H,3-5,10-14H2InChIKey
HKKKWWYCDHFXJP-UHFFFAOYSA-NSynonyms
2(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)6(2chlorophenyl)pyridazin3one
6(2chlorophenyl)2(2((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)pyridazin3(2H)one
6(2chlorophenyl)2(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)pyridazin3(2H)one
C1CCC2(CCN(CC2C1)C(=O)CN3C(=O)C=CC(=N3)C4=CC=CC=C4Cl)O
InChI=1SC21H24ClN3O3c2217721616(17)188919(26)25(2318)1420(27)24121121(28)1043515(21)1324h12691528H351014H2
MFCD28030108
O=C(N1CC(C@@)2((C@H)(C1)CCCC2)O)Cn1nc(ccc1=O)c1ccccc1Cl
ZINC000079485434
ZINC000095475550
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