Vitas-M small molecule compound
(5E)-1-(butan-2-yl)-5-({[4-(diethylammonio)phenyl]amino}methylidene)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL053807
SMILES CCC(N1C(=NC(=O)/C(=C\Nc2ccc(cc2)[NH+](CC)CC)/C1=O)[S-])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 C19H26N4O2S MW 374.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26N4O2S/c1-5-13(4)23-18(25)16(17(24)21-19(23)26)12-20-14-8-10-15(11-9-14)22(6-2)7-3/h8-13,20H,5-7H2,1-4H3,(H,21,24,26)/b16-12+InChIKey
CDRHGIBNBRZWCX-FOWTUZBSSA-NSynonyms
(5E)1(butan2yl)5(((4(diethylammonio)phenyl)amino)methylidene)46dioxo1456tetrahydropyrimidine2thiolate
(5E)1BUTAN2YL5((4(DIETHYLAMINO)ANILINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1butan2yl5((4(diethylazaniumyl)anilino)methylidene)6oxo2sulfanylidenepyrimidin4olate
CCC(C)N1C(=O)C(=CNC2=CC=C(C=C2)(NH+)(CC)CC)C(=NC1=S)(O)
CCC(N1C(=NC(=O)C(=CNc2ccc(cc2)(NH+)(CC)CC)C1=O)(S))C
InChI=1SC19H26N4O2Sc1513(4)2318(25)16(17(24)2119(23)26)12201481015(11914)22(62)73h81320H57H214H3(H212426)b1612+
MFCD18249565
ZINC000013298037
ZINC000017247897
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