Vitas-M small molecule compound
3-(4-{[(6-methyl-5-oxo-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-4-yl)oxy]acetyl}piperazin-1-yl)propanenitrile
Catalog ID
STL523811
SMILES N#CCCN1CCN(CC1)C(=O)COc1c2OCOc2cc2c1C(=O)N(CC2)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 C20H24N4O5 MW 400.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O5/c1-22-6-3-14-11-15-18(29-13-28-15)19(17(14)20(22)26)27-12-16(25)24-9-7-23(8-10-24)5-2-4-21/h11H,2-3,5-10,12-13H2,1H3InChIKey
NFSXVQPBYRUDGS-UHFFFAOYSA-NSynonyms
132351920
3(4(((6methyl5oxo5678tetrahydro(13)dioxolo(45g)isoquinolin4yl)oxy)acetyl)piperazin1yl)propanenitrile
3(4(2((6methyl5oxo5678tetrahydro(13)dioxolo(45g)isoquinolin4yl)oxy)acetyl)piperazin1yl)propanenitrilehydrochloride
3(4(2((6methyl5oxo78dihydro(13)dioxolo(45g)isoquinolin4yl)oxy)acetyl)piperazin1yl)propanenitrile
InChI=1SC20H24N4O5c1226314111518(29132815)19(17(14)20(22)26)271216(25)249723(81024)52421h11H235101213H21H3
MFCD31753239
N#CCCN1CCN(CC1)C(=O)COc1c2OCOc2cc2c1C(=O)N(CC2)CCl
ZINC000826711422
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