Vitas-M small molecule compound
1-[(6'S,8a'R)-4',4a',5',6'-tetrahydrospiro[cyclohexane-1,3'-[9]oxa[2]aza[6,8a]epoxyisoquinolin]-2'(1'H)-yl]propan-1-one
Catalog ID
STL553057
SMILES CCC(=O)N1C[C@@]23C=C[C@H](O2)CC3CC21CCCCC2
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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/c1-2-15(19)18-12-17-9-6-14(20-17)10-13(17)11-16(18)7-4-3-5-8-16/h6,9,13-14H,2-5,7-8,10-12H2,1H3/t13?,14-,17-/m1/s1InChIKey
ZVSXBCIDRDUSKT-DTLKIFBZSA-NSynonyms
1212442-21-11((1~(R)8~(S))spiro(11oxa3azatricyclo(6210^(16))undec9ene41cyclohexane)3yl)propan1one
1((6S8aR)44a56tetrahydrospiro(68aepoxyisoquinoline31cyclohexan)2(1H)yl)propan1one
1((6S8aR)44a56tetrahydrospiro(cyclohexane13(9)oxa(2)aza(68a)epoxyisoquinolin)2(1H)yl)propan1one
1212442211
16397734
CCC(=O)N1C(C@@)23C=C(C@@H)(O2)CC3CC21CCCCC2
InChI=1SC17H25NO2c1215(19)1812179614(2017)1013(17)1116(18)7435816h691314H25781012H21H3t13?1417m1s1
ZINC000004030023
ZINC000004030024
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