Vitas-M small molecule compound

2-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-phenylpyridazin-3(2H)-one

Catalog ID
STL156577
SMILES O=C(N1CCC2(C(C1)CCCC2)O)Cn1nc(ccc1=O)c1ccccc1

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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 C21H25N3O3 MW 367.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O3/c25-19-10-9-18(16-6-2-1-3-7-16)22-24(19)15-20(26)23-13-12-21(27)11-5-4-8-17(21)14-23/h1-3,6-7,9-10,17,27H,4-5,8,11-15H2
InChIKey
BTVHEFNCACUJNV-UHFFFAOYSA-N
Synonyms

2(2((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)6phenylpyridazin3(2H)one
2(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)6phenylpyridazin3one
2(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)6phenylpyridazin3(2H)one
C1CCC2(CCN(CC2C1)C(=O)CN3C(=O)C=CC(=N3)C4=CC=CC=C4)O
InChI=1SC21H25N3O3c251910918(166213716)2224(19)1520(26)23131221(27)1154817(21)1423h13679101727H4581115H2
MFCD20757726
O=C(N1CC(C@@)2((C@H)(C1)CCCC2)O)Cn1nc(ccc1=O)c1ccccc1
ZINC000071283576
ZINC000071329021

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Available files

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