Vitas-M small molecule compound

(5Z)-1-benzyl-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STL527982
SMILES COc1c2c(CCN(C2CN/C=C\2/C(=O)NC(=S)N(C2=O)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 C25H26N4O5S MW 494.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O5S/c1-28-9-8-16-10-19-21(34-14-33-19)22(32-2)20(16)18(28)12-26-11-17-23(30)27-25(35)29(24(17)31)13-15-6-4-3-5-7-15/h3-7,10-11,18,26H,8-9,12-14H2,1-2H3,(H,27,30,35)/b17-11-
InChIKey
ZJTGPMQFTPEPJV-BOPFTXTBSA-N
Synonyms

(5Z)1benzyl5((((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)methyl)amino)methylidene)2thioxodihydropyrimidine46(1H5H)dione
(Z)1benzyl5((((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)methyl)amino)methylene)2thioxodihydropyrimidine46(1H5H)dione
COc1c2c(CCN(C2CNC=C2C(=O)NC(=S)N(C2=O)Cc2ccccc2)C)cc2c1OCO2
InChI=1SC25H26N4O5Sc1289816101921(34143319)22(322)20(16)18(28)1226111723(30)2725(35)29(24(17)31)13156435715h3710111826H891214H212H3(H273035)b1711
MFCD03661983
ZINC000019363210
ZINC000019363580

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Available files

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