Vitas-M small molecule compound
(5Z)-5-({[2-(dimethylammonio)ethyl]amino}methylidene)-4,6-dioxo-1-(2,4,6-trimethylphenyl)-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL049606
SMILES C[NH+](CCN/C=C\1/C(=O)N=C(N(C1=O)c1c(C)cc(cc1C)C)[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 C18H24N4O2S MW 360.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N4O2S/c1-11-8-12(2)15(13(3)9-11)22-17(24)14(16(23)20-18(22)25)10-19-6-7-21(4)5/h8-10,19H,6-7H2,1-5H3,(H,20,23,25)/b14-10-InChIKey
DKAZEGWHNSIXHD-UVTDQMKNSA-NSynonyms
(5Z)5(((2(dimethylammonio)ethyl)amino)methylidene)46dioxo1(246trimethylphenyl)1456tetrahydropyrimidine2thiolate
(5Z)5((2(DIMETHYLAZANIUMYL)ETHYLAMINO)METHYLIDENE)6OXO2SULFANYLIDENE1(246TRIMETHYLPHENYL)PYRIMIDIN4OLATE
(5Z)5((2DIMETHYLAMINOETHYLAMINO)METHYLIDENE)2SULFANYLIDENE1(246TRIMETHYLPHENYL)13DIAZINANE46DIONE
C(NH+)(CCNC=C1C(=O)N=C(N(C1=O)c1c(C)cc(cc1C)C)(S))C
CC1=CC(=C(C(=C1)C)N2C(=O)C(=CNCC(NH+)(C)C)C(=NC2=S)(O))C
InChI=1SC18H24N4O2Sc111812(2)15(13(3)911)2217(24)14(16(23)2018(22)25)10196721(4)5h81019H67H215H3(H202325)b1410
MFCD18249278
ZINC000020477251
ZINC20477251
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