Vitas-M small molecule compound
ethyl 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate
Catalog ID
STL168746
SMILES CCOC(=O)c1ccc(cc1)N1CN(CNC1=S)C1CCCCC1
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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 C18H25N3O2S MW 347.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N3O2S/c1-2-23-17(22)14-8-10-16(11-9-14)21-13-20(12-19-18(21)24)15-6-4-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H,19,24)InChIKey
BWKZZXXBBJBRKZ-UHFFFAOYSA-NSynonyms
741287-76-34(5CYCLOHEXYL2THIOXO(135)TRIAZINAN1YL)BENZOICACIDETHYLESTER
741287763
CCOC(=O)C1=CC=C(C=C1)N2CN(CNC2=S)C3CCCCC3
ETHYL4(5CYCLOHEXYL2SULFANYLIDENE135TRIAZINAN1YL)BENZOATE
ethyl4(5cyclohexyl2thioxo135triazinan1yl)benzoate
InChI=1SC18H25N3O2Sc122317(22)1481016(11914)211320(121918(21)24)156435715h81115H271213H21H3(H1924)
MFCD03673797
ZINC000020168828
ZINC20168828
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