Vitas-M small molecule compound
(5E)-5-{[(2-ammoniocyclohexyl)amino]methylidene}-1-(4-methoxyphenyl)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL040672
SMILES COc1ccc(cc1)N1C(=NC(=O)/C(=C\NC2CCCCC2[NH3+])/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 C18H22N4O3S MW 374.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O3S/c1-25-12-8-6-11(7-9-12)22-17(24)13(16(23)21-18(22)26)10-20-15-5-3-2-4-14(15)19/h6-10,14-15,20H,2-5,19H2,1H3,(H,21,23,26)/b13-10+InChIKey
KTZZGDULFHNKAC-JLHYYAGUSA-NSynonyms
(5E)5(((2AMINOCYCLOHEXYL)AMINO)METHYLIDENE)1(4METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(((2ammoniocyclohexyl)amino)methylidene)1(4methoxyphenyl)46dioxo1456tetrahydropyrimidine2thiolate
(5E)5(((2azaniumylcyclohexyl)amino)methylidene)1(4methoxyphenyl)6oxo2sulfanylidenepyrimidin4olate
COC1=CC=C(C=C1)N2C(=O)C(=CNC3CCCCC3(NH3+))C(=NC2=S)(O)
COc1ccc(cc1)N1C(=NC(=O)C(=CNC2CCCCC2(NH3+))C1=O)(S)
InChI=1SC18H22N4O3Sc125128611(7912)2217(24)13(16(23)2118(22)26)102015532414(15)19h610141520H2519H21H3(H212326)b1310+
MFCD18248049
ZINC000020329244
ZINC000020329261
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