Vitas-M small molecule compound
(5Z)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)methyl]amino}methylidene)-1-(4-methoxyphenyl)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL528669
SMILES COc1ccc(cc1)N1C(=NC(=O)/C(=C/NCC2[NH+](C)CCc3c2c(OC)c2c(c3)OCO2)/C1=O)[S-]
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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 C25H26N4O6S MW 510.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O6S/c1-28-9-8-14-10-19-21(35-13-34-19)22(33-3)20(14)18(28)12-26-11-17-23(30)27-25(36)29(24(17)31)15-4-6-16(32-2)7-5-15/h4-7,10-11,18,26H,8-9,12-13H2,1-3H3,(H,27,30,36)/b17-11-InChIKey
LUZAWFWYHUDGEO-BOPFTXTBSA-NSynonyms
(5Z)5((((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)methyl)amino)methylidene)1(4methoxyphenyl)46dioxo1456tetrahydropyrimidine2thiolate
InChI=1SC25H26N4O6Sc1289814101921(35133419)22(333)20(14)18(28)1226111723(30)2725(36)29(24(17)31)154616(322)7515h4710111826H891213H213H3(H273036)b1711
MFCD31753894
ZINC000020411204
ZINC000100754335
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