Vitas-M small molecule compound
(5Z)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-1-(3-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL526791
SMILES COc1cccc(c1)N1C(=O)NC(=O)/C(=C/NCC2N(C)CCc3c2c(OC)c2c(c3)OCO2)/C1=O
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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 C25H26N4O7 MW 494.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O7/c1-28-8-7-14-9-19-21(36-13-35-19)22(34-3)20(14)18(28)12-26-11-17-23(30)27-25(32)29(24(17)31)15-5-4-6-16(10-15)33-2/h4-6,9-11,18,26H,7-8,12-13H2,1-3H3,(H,27,30,32)/b17-11-InChIKey
NHGYSPDUAZAMPI-BOPFTXTBSA-NSynonyms
(5Z)5((((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)methyl)amino)methylidene)1(3methoxyphenyl)pyrimidine246(1H3H5H)trione
(Z)5((((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)methyl)amino)methylene)1(3methoxyphenyl)pyrimidine246(1H3H5H)trione
COc1cccc(c1)N1C(=O)NC(=O)C(=CNCC2N(C)CCc3c2c(OC)c2c(c3)OCO2)C1=O
InChI=1SC25H26N4O7c128871491921(36133519)22(343)20(14)18(28)1226111723(30)2725(32)29(24(17)31)1554616(1015)332h469111826H781213H213H3(H273032)b1711
MFCD03265945
ZINC000002099491
ZINC000020113044
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