Vitas-M small molecule compound
(2E)-1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one
Catalog ID
STL547325
SMILES O=C(N1CCC2(C(C1)CCCC2)O)/C=C/c1ccc(cc1)C(C)C
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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 C21H29NO2 MW 327.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29NO2/c1-16(2)18-9-6-17(7-10-18)8-11-20(23)22-14-13-21(24)12-4-3-5-19(21)15-22/h6-11,16,19,24H,3-5,12-15H2,1-2H3/b11-8+InChIKey
SSNPSZMESOKIQV-DHZHZOJOSA-NSynonyms
897820-92-7(~(E))1(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3(4propan2ylphenyl)prop2en1one
(2E)1(4ahydroxyoctahydroisoquinolin2(1H)yl)3(4(propan2yl)phenyl)prop2en1one
(E)1(4AHYDROXYOCTAHYDROISOQUINOLIN2(1H)YL)3(4ISOPROPYLPHENYL)PROP2EN1ONE
5924055
897820927
InChI=1SC21H29NO2c116(2)189617(71018)81120(23)22141321(24)1243519(21)1522h611161924H351215H212H3b118+
MFCD08541525
O=C(N1CCC2(C(C1)CCCC2)O)C=Cc1ccc(cc1)C(C)C
ZINC000002111971
ZINC000007616145
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