Vitas-M small molecule compound

1-{4-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)sulfonyl]piperazin-1-yl}-2,2-dimethylpropan-1-one

Catalog ID
STL523975
SMILES COc1c2CN(C)CCc2c(c2c1OCO2)S(=O)(=O)N1CCN(CC1)C(=O)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 C21H31N3O6S MW 453.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N3O6S/c1-21(2,3)20(25)23-8-10-24(11-9-23)31(26,27)19-14-6-7-22(4)12-15(14)16(28-5)17-18(19)30-13-29-17/h6-13H2,1-5H3
InChIKey
AMNJFZOEPHCDKP-UHFFFAOYSA-N
Synonyms

1(4((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)sulfonyl)piperazin1yl)22dimethylpropan1one
1(4((4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin9yl)sulfonyl)piperazin1yl)22dimethylpropan1one
125430128
InChI=1SC21H31N3O6Sc121(23)20(25)2381024(11923)31(2627)19146722(4)1215(14)16(285)1718(19)30132917h613H215H3
MFCD31753403
ZINC000524731515
ZINC524731515

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.