Vitas-M small molecule compound
1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-4-yl]ethanone
Catalog ID
STL251004
SMILES O=C(N1CCC2(C(C1)CCCC2)O)Cc1csc(n1)n1cccc1
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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 C18H23N3O2S MW 345.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N3O2S/c22-16(11-15-13-24-17(19-15)20-8-3-4-9-20)21-10-7-18(23)6-2-1-5-14(18)12-21/h3-4,8-9,13-14,23H,1-2,5-7,10-12H2InChIKey
NLKDSYGMWVHNRL-UHFFFAOYSA-NSynonyms
1(4ahydroxy13456788aoctahydroisoquinolin2yl)2(2pyrrol1yl13thiazol4yl)ethanone
1(4ahydroxyoctahydroisoquinolin2(1H)yl)2(2(1Hpyrrol1yl)13thiazol4yl)ethanone
2(2(1Hpyrrol1yl)thiazol4yl)1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)ethanone
C1CCC2(CCN(CC2C1)C(=O)CC3=CSC(=N3)N4C=CC=C4)O
InChI=1SC18H23N3O2Sc2216(1115132417(1915)20834920)2110718(23)621514(18)1221h3489131423H12571012H2
MFCD24852528
O=C(N1CC(C@@)2((C@H)(C1)CCCC2)O)Cc1csc(n1)n1cccc1
ZINC000072403785
ZINC000080337753
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