Vitas-M small molecule compound
1-[(4a'R,6'S,8a'R)-4',4a',5',6'-tetrahydrospiro[cycloheptane-1,3'-[9]oxa[2]aza[6,8a]epoxyisoquinolin]-2'(1'H)-yl]ethanone
Catalog ID
STL552828
SMILES CC(=O)N1C[C@@]23C=C[C@H](O2)C[C@H]3CC21CCCCCC2
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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 C17H25NO2 MW 275.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H25NO2/c1-13(19)18-12-17-9-6-15(20-17)10-14(17)11-16(18)7-4-2-3-5-8-16/h6,9,14-15H,2-5,7-8,10-12H2,1H3/t14-,15+,17+/m0/s1InChIKey
RCFHJSCTPLCRAN-ZMSDIMECSA-NSynonyms
462113-59-31((1~(R)6~(R)8~(S))spiro(11oxa3azatricyclo(6210^(16))undec9ene41cycloheptane)3yl)ethanone
1((4aR6S8aR)44a56tetrahydrospiro(68aepoxyisoquinoline31cycloheptan)2(1H)yl)ethanone
1((4aR6S8aR)44a56tetrahydrospiro(cycloheptane13(9)oxa(2)aza(68a)epoxyisoquinolin)2(1H)yl)ethanone
1426476
462113593
CC(=O)N1C(C@@)23C=C(C@@H)(O2)C(C@H)3CC21CCCCCC2
InChI=1SC17H25NO2c113(19)1812179615(2017)1014(17)1116(18)74235816h691415H25781012H21H3t1415+17+m0s1
ZINC000001321237
ZINC1321237
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