Vitas-M small molecule compound
1-[(4a'R,6'S,8a'R)-4',4a',5',6'-tetrahydrospiro[cyclopentane-1,3'-[9]oxa[2]aza[6,8a]epoxyisoquinolin]-2'(1'H)-yl]ethanone
Catalog ID
STL552809
SMILES CC(=O)N1C[C@@]23C=C[C@H](O2)C[C@H]3CC21CCCC2
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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 C15H21NO2 MW 247.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H21NO2/c1-11(17)16-10-15-7-4-13(18-15)8-12(15)9-14(16)5-2-3-6-14/h4,7,12-13H,2-3,5-6,8-10H2,1H3/t12-,13+,15+/m0/s1InChIKey
QLOISECRUXBCQN-GZBFAFLISA-NSynonyms
462113-57-11((1~(R)6~(R)8~(S))spiro(11oxa3azatricyclo(6210^(16))undec9ene41cyclopentane)3yl)ethanone
1((4aR6S8aR)44a56tetrahydrospiro(68aepoxyisoquinoline31cyclopentan)2(1H)yl)ethanone
1((4aR6S8aR)44a56tetrahydrospiro(cyclopentane13(9)oxa(2)aza(68a)epoxyisoquinolin)2(1H)yl)ethanone
1426693
462113571
CC(=O)N1C(C@@)23C=C(C@@H)(O2)C(C@H)3CC21CCCC2
InChI=1SC15H21NO2c111(17)1610157413(1815)812(15)914(16)523614h471213H2356810H21H3t1213+15+m0s1
ZINC000001321577
ZINC1321577
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