Vitas-M small molecule compound
(5Z)-1-(2-ethoxyphenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)methyl]amino}methylidene)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL528643
SMILES CCOc1ccccc1N1C(=O)N=C(/C(=C/NCC2[NH+](C)CCc3c2c(OC)c2c(c3)OCO2)/C1=O)[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 C26H28N4O7 MW 508.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O7/c1-4-35-19-8-6-5-7-17(19)30-25(32)16(24(31)28-26(30)33)12-27-13-18-21-15(9-10-29(18)2)11-20-22(23(21)34-3)37-14-36-20/h5-8,11-12,18,27H,4,9-10,13-14H2,1-3H3,(H,28,31,33)/b16-12-InChIKey
PGLHXFXJQPUQPY-VBKFSLOCSA-NSynonyms
(5Z)1(2ethoxyphenyl)5((((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)methyl)amino)methylidene)26dioxo1256tetrahydropyrimidin4olate
InChI=1SC26H28N4O7c143519865717(19)3025(32)16(24(31)2826(30)33)122713182115(91029(18)2)112022(23(21)343)37143620h5811121827H49101314H213H3(H283133)b1612
MFCD31753892
ZINC000100754262
ZINC000100754264
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