Vitas-M small molecule compound
(5Z)-5-({[2-(dimethylammonio)ethyl]amino}methylidene)-1-(2,5-dimethylphenyl)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL054566
SMILES Cc1ccc(c(c1)N1C(=NC(=O)/C(=C/NCC[NH+](C)C)/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 C17H22N4O2S MW 346.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O2S/c1-11-5-6-12(2)14(9-11)21-16(23)13(15(22)19-17(21)24)10-18-7-8-20(3)4/h5-6,9-10,18H,7-8H2,1-4H3,(H,19,22,24)/b13-10-InChIKey
ALUDKYBZWHDYRH-RAXLEYEMSA-NSynonyms
(5Z)5(((2(dimethylammonio)ethyl)amino)methylidene)1(25dimethylphenyl)46dioxo1456tetrahydropyrimidine2thiolate
(5Z)5((2(DIMETHYLAZANIUMYL)ETHYLAMINO)METHYLIDENE)1(25DIMETHYLPHENYL)6OXO2SULFANYLIDENEPYRIMIDIN4OLATE
(5Z)5((2DIMETHYLAMINOETHYLAMINO)METHYLIDENE)1(25DIMETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(C=C1)C)N2C(=O)C(=CNCC(NH+)(C)C)C(=NC2=S)(O)
Cc1ccc(c(c1)N1C(=NC(=O)C(=CNCC(NH+)(C)C)C1=O)(S))C
InChI=1SC17H22N4O2Sc1115612(2)14(911)2116(23)13(15(22)1917(21)24)10187820(3)4h5691018H78H214H3(H192224)b1310
MFCD18249613
ZINC000020463808
ZINC20463808
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