Vitas-M small molecule compound
4-methoxy-6,6-dimethyl-5-[({(E)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)methyl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552991
SMILES COc1c2OCOc2cc2c1C(CN/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)C)[N+](CC2)(C)C
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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 C26H29N4O6 MW 493.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O6/c1-15-5-7-17(8-6-15)29-25(32)18(24(31)28-26(29)33)12-27-13-19-21-16(9-10-30(19,2)3)11-20-22(23(21)34-4)36-14-35-20/h5-8,11-12,19H,9-10,13-14H2,1-4H3,(H-,27,28,31,32,33)/p+1InChIKey
CCIUEOWXVQICAQ-UHFFFAOYSA-OSynonyms
(E)4methoxy66dimethyl5((((246trioxo1(ptolyl)tetrahydropyrimidin5(2H)ylidene)methyl)amino)methyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
3726340
4methoxy66dimethyl5((((E)(1(4methylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)methyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5(((4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5YL)METHYLAMINO)METHYLIDENE)1(4METHYLPHENYL)13DIAZINANE246TRIONE
6hydroxy5((4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)methyliminomethyl)1(4methylphenyl)pyrimidine24dione
COc1c2OCOc2cc2c1C(CNC=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C)(N+)(CC2)(C)C(I)
InChI=1SC26H28N4O6c1155717(8615)2925(32)18(24(31)2826(29)33)122713192116(91030(192)3)112022(23(21)344)36143520h58111219H9101314H214H3(H2728313233)p+1
ZINC000002106933
ZINC000002106937
Check stock
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Check stock on Vitas-MAvailable files
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