Vitas-M small molecule compound
(1,3-diphenyl-1H-pyrazol-5-yl)(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)methanone
Catalog ID
STL156256
SMILES O=C(c1cc(nn1c1ccccc1)c1ccccc1)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 C25H27N3O2 MW 401.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O2/c29-24(27-16-15-25(30)14-8-7-11-20(25)18-27)23-17-22(19-9-3-1-4-10-19)26-28(23)21-12-5-2-6-13-21/h1-6,9-10,12-13,17,20,30H,7-8,11,14-16,18H2InChIKey
ZJRQVLVOORGBBX-UHFFFAOYSA-NSynonyms
(13diphenyl1Hpyrazol5yl)((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)methanone
(13diphenyl1Hpyrazol5yl)(4ahydroxyoctahydroisoquinolin2(1H)yl)methanone
(4ahydroxy13456788aoctahydroisoquinolin2yl)(25diphenylpyrazol3yl)methanone
C1CCC2(CCN(CC2C1)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5)O
InChI=1SC25H27N3O2c2924(27161525(30)14871120(25)1827)231722(1993141019)2628(23)21125261321h169101213172030H7811141618H2
MFCD20757618
O=C(c1cc(nn1c1ccccc1)c1ccccc1)N1CC(C@@)2((C@H)(C1)CCCC2)O
ZINC000061722143
ZINC000071329007
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