Vitas-M small molecule compound
(5E)-1-butyl-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)methyl]amino}methylidene)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL529484
SMILES CCCCN1C(=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 C22H28N4O5S MW 460.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O5S/c1-4-5-7-26-21(28)14(20(27)24-22(26)32)10-23-11-15-17-13(6-8-25(15)2)9-16-18(19(17)29-3)31-12-30-16/h9-10,15,23H,4-8,11-12H2,1-3H3,(H,24,27,32)/b14-10+InChIKey
XPHVDJOWXHRHGU-GXDHUFHOSA-NSynonyms
(5E)1butyl5((((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)methyl)amino)methylidene)46dioxo1456tetrahydropyrimidine2thiolate
MFCD31753948
ZINC000100755802
ZINC000100755803
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