Vitas-M small molecule compound
1-[(4a'R,6'S,8a'R)-4',4a',5',6'-tetrahydrospiro[cyclohexane-1,3'-[9]oxa[2]aza[6,8a]epoxyisoquinolin]-2'(1'H)-yl]ethanone
Catalog ID
STL552848
SMILES CC(=O)N1C[C@@]23C=C[C@H](O2)C[C@H]3CC21CCCCC2
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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 C16H23NO2 MW 261.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23NO2/c1-12(18)17-11-16-8-5-14(19-16)9-13(16)10-15(17)6-3-2-4-7-15/h5,8,13-14H,2-4,6-7,9-11H2,1H3/t13-,14+,16+/m0/s1InChIKey
JNJDVHLGVVODSS-SQWLQELKSA-NSynonyms
462113-58-21((1~(R)6~(R)8~(S))spiro(11oxa3azatricyclo(6210^(16))undec9ene41cyclohexane)3yl)ethanone
1((4aR6S8aR)44a56tetrahydrospiro(68aepoxyisoquinoline31cyclohexan)2(1H)yl)ethanone
1((4aR6S8aR)44a56tetrahydrospiro(cyclohexane13(9)oxa(2)aza(68a)epoxyisoquinolin)2(1H)yl)ethanone
11436926
462113582
CC(=O)N1C(C@@)23C=C(C@@H)(O2)C(C@H)3CC21CCCCC2
InChI=1SC16H23NO2c112(18)1711168514(1916)913(16)1015(17)6324715h581314H2467911H21H3t1314+16+m0s1
ZINC000004029047
ZINC4029047
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