Vitas-M small molecule compound
(5Z)-5-({[2-(dimethylammonio)ethyl]amino}methylidene)-1-(3,5-dimethylphenyl)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STK568150
SMILES Cc1cc(C)cc(c1)N1C(=NC(=O)/C(=C/NCC[NH+](C)C)/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 C17H22N4O2S MW 346.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O2S/c1-11-7-12(2)9-13(8-11)21-16(23)14(15(22)19-17(21)24)10-18-5-6-20(3)4/h7-10,18H,5-6H2,1-4H3,(H,19,22,24)/b14-10-InChIKey
BERIRGLHQHBCLY-UVTDQMKNSA-NSynonyms
(5Z)5(((2(dimethylammonio)ethyl)amino)methylidene)1(35dimethylphenyl)46dioxo1456tetrahydropyrimidine2thiolate
(5Z)5((2(DIMETHYLAZANIUMYL)ETHYLAMINO)METHYLIDENE)1(35DIMETHYLPHENYL)6OXO2SULFANYLIDENEPYRIMIDIN4OLATE
(5Z)5((2DIMETHYLAMINOETHYLAMINO)METHYLIDENE)1(35DIMETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=CC(=C1)N2C(=O)C(=CNCC(NH+)(C)C)C(=NC2=S)(O))C
Cc1cc(C)cc(c1)N1C(=NC(=O)C(=CNCC(NH+)(C)C)C1=O)(S)
InChI=1SC17H22N4O2Sc111712(2)913(811)2116(23)14(15(22)1917(21)24)10185620(3)4h71018H56H214H3(H192224)b1410
MFCD18245207
ZINC000020463070
ZINC20463070
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