Vitas-M small molecule compound
(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)[1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone
Catalog ID
STL156705
SMILES O=C(c1cnn(c1n1cccc1)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 C18H24N4O2 MW 328.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N4O2/c1-20-16(21-9-4-5-10-21)15(12-19-20)17(23)22-11-8-18(24)7-3-2-6-14(18)13-22/h4-5,9-10,12,14,24H,2-3,6-8,11,13H2,1H3InChIKey
BHBPQMDWSXJADC-UHFFFAOYSA-NSynonyms
((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)(1methyl5(1Hpyrrol1yl)1Hpyrazol4yl)methanone
(4ahydroxy13456788aoctahydroisoquinolin2yl)(1methyl5pyrrol1ylpyrazol4yl)methanone
(4ahydroxyoctahydroisoquinolin2(1H)yl)(1methyl5(1Hpyrrol1yl)1Hpyrazol4yl)methanone
CN1C(=C(C=N1)C(=O)N2CCC3(CCCCC3C2)O)N4C=CC=C4
InChI=1SC18H24N4O2c12016(219451021)15(121920)17(23)2211818(24)732614(18)1322h45910121424H23681113H21H3
MFCD20757764
O=C(c1cnn(c1n1cccc1)C)N1CC(C@@)2((C@H)(C1)CCCC2)O
ZINC000061719293
ZINC000071329027
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