Vitas-M small molecule compound
(5Z)-5-[({3-[(2-ethylhexyl)oxy]propyl}amino)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
Catalog ID
STL044654
SMILES CCCCC(COCCCN/C=C\1/C(=NC(=NC1=O)S)O)CC
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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 C16H27N3O3S MW 341.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H27N3O3S/c1-3-5-7-12(4-2)11-22-9-6-8-17-10-13-14(20)18-16(23)19-15(13)21/h10,12,17H,3-9,11H2,1-2H3,(H2,18,19,20,21,23)InChIKey
HZGJVIYWHPTDTC-UHFFFAOYSA-NSynonyms
(5Z)5(((3((2ethylhexyl)oxy)propyl)amino)methylidene)6hydroxy2sulfanylpyrimidin4(5H)one
5((3(2ETHYLHEXOXY)PROPYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5((3(2ETHYLHEXYLOXY)PROPYLAMINO)METHYLENE)2THIOXODIHYDROPYRIMIDINE46DIONE
CCCCC(CC)COCCCNC=C1C(=O)NC(=S)NC1=O
CCCCC(COCCCNC=C1C(=NC(=NC1=O)S)O)CC
InChI=1SC16H27N3O3Sc135712(42)112296817101314(20)1816(23)1915(13)21h101217H3911H212H3(H21819202123)
MFCD04076309
ZINC000100374192
ZINC000100374197
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