Vitas-M small molecule compound
(2E)-3-(4-tert-butylphenyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one
Catalog ID
STK411585
SMILES O=C(N1CCc2c(C1)cccc2)/C=C/c1ccc(cc1)C(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 C22H25NO MW 319.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO/c1-22(2,3)20-11-8-17(9-12-20)10-13-21(24)23-15-14-18-6-4-5-7-19(18)16-23/h4-13H,14-16H2,1-3H3/b13-10+InChIKey
JGIFMPJQFPUQDY-JLHYYAGUSA-NSynonyms
(2E)3(4tertbutylphenyl)1(34dihydroisoquinolin2(1H)yl)prop2en1one
(E)3(4TERTBUTYLPHENYL)1(34DIHYDRO1HISOQUINOLIN2YL)PROP2EN1ONE
CC(C)(C)C1=CC=C(C=C1)C=CC(=O)N2CCC3=CC=CC=C3C2
InChI=1SC22H25NOc122(23)2011817(91220)101321(24)23151418645719(18)1623h413H1416H213H3b1310+
MFCD01358726
O=C(N1CCc2c(C1)cccc2)C=Cc1ccc(cc1)C(C)(C)C
ZINC000001217326
ZINC01217326
ZINC1217326
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