Vitas-M small molecule compound
(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)[1-phenyl-3-(propan-2-yl)-1H-pyrazol-5-yl]methanone
Catalog ID
STL312297
SMILES O=C(c1cc(nn1c1ccccc1)C(C)C)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 C22H29N3O2 MW 367.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O2/c1-16(2)19-14-20(25(23-19)18-9-4-3-5-10-18)21(26)24-13-12-22(27)11-7-6-8-17(22)15-24/h3-5,9-10,14,16-17,27H,6-8,11-13,15H2,1-2H3InChIKey
FQYHUSDAYMMPIR-UHFFFAOYSA-NSynonyms
((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)(3isopropyl1phenyl1Hpyrazol5yl)methanone
(4ahydroxy13456788aoctahydroisoquinolin2yl)(2phenyl5propan2ylpyrazol3yl)methanone
(4ahydroxyoctahydroisoquinolin2(1H)yl)(1phenyl3(propan2yl)1Hpyrazol5yl)methanone
CC(C)C1=NN(C(=C1)C(=O)N2CCC3(CCCCC3C2)O)C4=CC=CC=C4
InChI=1SC22H29N3O2c116(2)191420(25(2319)1894351018)21(26)24131222(27)1176817(22)1524h3591014161727H68111315H212H3
MFCD27962814
O=C(c1cc(nn1c1ccccc1)C(C)C)N1CC(C@@)2((C@H)(C1)CCCC2)O
ZINC000095474671
ZINC000095474674
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