Vitas-M small molecule compound
(1Z)-5-(2,4-dichlorophenoxy)-1-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)pentan-2-one
Catalog ID
STK573912
SMILES O=C(/C=C/1\NCCc2c1cc1OCOc1c2)CCCOc1ccc(cc1Cl)Cl
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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 C21H19Cl2NO4 MW 420.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2NO4/c22-14-3-4-19(17(23)9-14)26-7-1-2-15(25)10-18-16-11-21-20(27-12-28-21)8-13(16)5-6-24-18/h3-4,8-11,24H,1-2,5-7,12H2/b18-10-InChIKey
SBLUQEIYXMSIFM-ZDLGFXPLSA-NSynonyms
898913-43-4(1Z)5(24dichlorophenoxy)1(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)pentan2one
(1Z)5(24dichlorophenoxy)1(78dihydro6H(13)dioxolo(45g)isoquinolin5ylidene)pentan2one
(Z)5(24dichlorophenoxy)1(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)pentan2one
898913434
C1CNC(=CC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)C3=CC4=C(C=C31)OCO4
InChI=1SC21H19Cl2NO4c22143419(17(23)914)2671215(25)101816112120(27122821)813(16)562418h3481124H125712H2b1810
MFCD07639233
O=C(C=C1NCCc2c1cc1OCOc1c2)CCCOc1ccc(cc1Cl)Cl
ZINC000009128791
ZINC09128791
ZINC9128791
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