Vitas-M small molecule compound

1-benzyl-6-hydroxy-5-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)acetyl]pyrimidine-2,4(1H,3H)-dione

Catalog ID
STL526883
SMILES COc1c2c(CCN(C2CC(=O)c2c(=O)[nH]c(=O)n(c2O)Cc2ccccc2)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 C25H25N3O7 MW 479.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O7/c1-27-9-8-15-10-18-21(35-13-34-18)22(33-2)19(15)16(27)11-17(29)20-23(30)26-25(32)28(24(20)31)12-14-6-4-3-5-7-14/h3-7,10,16,31H,8-9,11-13H2,1-2H3,(H,26,30,32)
InChIKey
WNFMJXKYHBZBGV-UHFFFAOYSA-N
Synonyms
384361-84-6
1benzyl6hydroxy5((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)acetyl)pyrimidine24(1H3H)dione
1benzyl6hydroxy5(2(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)acetyl)pyrimidine24(1H3H)dione
1benzyl6hydroxy5(2(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)acetyl)pyrimidine24dione
1BENZYL6HYDROXY5(2(4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN5YL)ACETYL)PYRIMIDINE24DIONE
3732819
384361846
COc1c2c(CCN(C2CC(=O)c2c(=O)(nH)c(=O)n(c2O)Cc2ccccc2)C)cc2c1OCO2
InChI=1SC25H25N3O7c1279815101821(35133418)22(332)19(15)16(27)1117(29)2023(30)2625(32)28(24(20)31)12146435714h37101631H891113H212H3(H263032)
MFCD03266014
ZINC000020113068
ZINC000020113071

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Available files

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