Vitas-M small molecule compound
6-(3,4-dimethoxyphenyl)-2-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]pyridazin-3(2H)-one
Catalog ID
STL245650
SMILES COc1cc(ccc1OC)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 C23H29N3O5 MW 427.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O5/c1-30-19-8-6-16(13-20(19)31-2)18-7-9-21(27)26(24-18)15-22(28)25-12-11-23(29)10-4-3-5-17(23)14-25/h6-9,13,17,29H,3-5,10-12,14-15H2,1-2H3InChIKey
USWDBAFEFVLAJK-UHFFFAOYSA-NSynonyms
2(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)6(34dimethoxyphenyl)pyridazin3one
6(34dimethoxyphenyl)2(2((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)pyridazin3(2H)one
6(34dimethoxyphenyl)2(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)pyridazin3(2H)one
COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCC4(CCCCC4C3)O)OC
COc1cc(ccc1OC)c1ccc(=O)n(n1)CC(=O)N1CC(C@@)2((C@H)(C1)CCCC2)O
InChI=1SC23H29N3O5c130198616(1320(19)312)187921(27)26(2418)1522(28)25121123(29)1043517(23)1425h69131729H3510121415H212H3
MFCD24860333
ZINC000072405788
ZINC000080329544
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