Vitas-M small molecule compound
(5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-({[3-(dimethylammonio)propyl]amino}methylidene)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STK567640
SMILES C[NH+](CCCN/C=C/1\C(=O)N=C(N(C1=O)CCC1=CCCCC1)[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 C18H28N4O2S MW 364.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H28N4O2S/c1-21(2)11-6-10-19-13-15-16(23)20-18(25)22(17(15)24)12-9-14-7-4-3-5-8-14/h7,13,19H,3-6,8-12H2,1-2H3,(H,20,23,25)/b15-13+InChIKey
CWZNCNZMOADWEB-FYWRMAATSA-NSynonyms
(5E)1(2(cyclohex1en1yl)ethyl)5(((3(dimethylammonio)propyl)amino)methylidene)46dioxo1456tetrahydropyrimidine2thiolate
(5E)1(2(CYCLOHEXEN1YL)ETHYL)5((3(DIMETHYLAMINO)PROPYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(2(CYCLOHEXEN1YL)ETHYL)5((3(DIMETHYLAZANIUMYL)PROPYLAMINO)METHYLIDENE)6OXO2SULFANYLIDENEPYRIMIDIN4OLATE
C(NH+)(C)CCCNC=C1C(=NC(=S)N(C1=O)CCC2=CCCCC2)(O)
C(NH+)(CCCNC=C1C(=O)N=C(N(C1=O)CCC1=CCCCC1)(S))C
InChI=1SC18H28N4O2Sc121(2)1161019131516(23)2018(25)22(17(15)24)129147435814h71319H36812H212H3(H202325)b1513+
MFCD18245168
ZINC000001877681
ZINC1877681
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