Vitas-M small molecule compound

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

Catalog ID
STL526630
SMILES COc1c2c(CCN(C2CC(=O)c2c(=O)[nH]c(=O)n(c2O)c2ccccc2OC)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 C25H25N3O8 MW 495.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O8/c1-27-9-8-13-10-18-21(36-12-35-18)22(34-3)19(13)15(27)11-16(29)20-23(30)26-25(32)28(24(20)31)14-6-4-5-7-17(14)33-2/h4-7,10,15,31H,8-9,11-12H2,1-3H3,(H,26,30,32)
InChIKey
RGWCDFWGTFUZAV-UHFFFAOYSA-N
Synonyms
384361-05-1
3833695
384361051
6hydroxy5((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)acetyl)1(2methoxyphenyl)pyrimidine24(1H3H)dione
6hydroxy5(2(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)acetyl)1(2methoxyphenyl)pyrimidine24(1H3H)dione
6hydroxy5(2(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)acetyl)1(2methoxyphenyl)pyrimidine24dione
6HYDROXY5(2(4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN5YL)ACETYL)1(2METHOXYPHENYL)PYRIMIDINE24DIONE
COc1c2c(CCN(C2CC(=O)c2c(=O)(nH)c(=O)n(c2O)c2ccccc2OC)C)cc2c1OCO2
InChI=1SC25H25N3O8c1279813101821(36123518)22(343)19(13)15(27)1116(29)2023(30)2625(32)28(24(20)31)14645717(14)332h47101531H891112H213H3(H263032)
MFCD03265922
ZINC000020113036
ZINC000020113037

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Available files

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