Vitas-M small molecule compound
(5E)-5-{[(2-ammoniocyclohexyl)amino]methylidene}-1-cyclohexyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL049808
SMILES [S-]C1=NC(=O)/C(=C\NC2CCCCC2[NH3+])/C(=O)N1C1CCCCC1
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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 C17H26N4O2S MW 350.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H26N4O2S/c18-13-8-4-5-9-14(13)19-10-12-15(22)20-17(24)21(16(12)23)11-6-2-1-3-7-11/h10-11,13-14,19H,1-9,18H2,(H,20,22,24)/b12-10+InChIKey
XBOPZJOTHBINSM-ZRDIBKRKSA-NSynonyms
(5E)5(((2AMINOCYCLOHEXYL)AMINO)METHYLIDENE)1CYCLOHEXYL2SULFANYLIDENE13DIAZINANE46DIONE(5E)5(((2ammoniocyclohexyl)amino)methylidene)1cyclohexyl46dioxo1456tetrahydropyrimidine2thiolate
(5E)5(((2AZANIUMYLCYCLOHEXYL)AMINO)METHYLIDENE)1CYCLOHEXYL6OXO2SULFANYLIDENEPYRIMIDIN4OLATE
(S)C1=NC(=O)C(=CNC2CCCCC2(NH3+))C(=O)N1C1CCCCC1
C1CCC(CC1)N2C(=O)C(=CNC3CCCCC3(NH3+))C(=NC2=S)(O)
Registry IDs
MFCD18249292ZINC000020326450
ZINC000020326475
ZINC000254293969
ZINC000254293972
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