Vitas-M small molecule compound
1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propan-1-one
Catalog ID
STL561113
SMILES O=C(N1CCC2(C(C1)CCCC2)O)CC(n1cccc1)c1cscc1
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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 C20H26N2O2S MW 358.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N2O2S/c23-19(22-11-8-20(24)7-2-1-5-17(20)14-22)13-18(16-6-12-25-15-16)21-9-3-4-10-21/h3-4,6,9-10,12,15,17-18,24H,1-2,5,7-8,11,13-14H2InChIKey
QHWXDGZRYGJATN-UHFFFAOYSA-NSynonyms
1(4ahydroxy13456788aoctahydroisoquinolin2yl)3pyrrol1yl3thiophen3ylpropan1one
1(4ahydroxyoctahydroisoquinolin2(1H)yl)3(1Hpyrrol1yl)3(thiophen3yl)propan1one
128962687
InChI=1SC20H26N2O2Sc2319(2211820(24)721517(20)1422)1318(16612251516)219341021h3469101215171824H12578111314H2
MFCD32262543
ZINC000524732820
ZINC000524732823
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