Vitas-M small molecule compound
(3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one
Catalog ID
STL562479
SMILES COc1c2c(CCN(C2CC(=O)/C=C/C2CC=C(CC2C)C)C)cc2c1OCO2
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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 C24H31NO4 MW 397.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO4/c1-15-5-6-17(16(2)11-15)7-8-19(26)13-20-22-18(9-10-25(20)3)12-21-23(24(22)27-4)29-14-28-21/h5,7-8,12,16-17,20H,6,9-11,13-14H2,1-4H3/b8-7+InChIKey
FKYITSOBJSHMDA-BQYQJAHWSA-NSynonyms
1008985-97-4(3E)4(46dimethylcyclohex3en1yl)1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)but3en2one
(E)4(46dimethylcyclohex3en1yl)1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)but3en2one
(E)4(46dimethylcyclohex3en1yl)1(4methoxy6methyl78dihydro5H(13)dioxolo(45g)isoquinolin5yl)but3en2one
1008985974
5907283
COc1c2c(CCN(C2CC(=O)C=CC2CC=C(CC2C)C)C)cc2c1OCO2
InChI=1SC24H31NO4c1155617(16(2)1115)7819(26)13202218(91025(20)3)122123(24(22)274)29142821h57812161720H69111314H214H3b87+
MFCD02115808
ZINC000020112005
ZINC000252693669
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