Vitas-M small molecule compound
(5Z)-5-[4-(azepanium-1-yl)benzylidene]-1-methyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL053504
SMILES CN1C(=NC(=O)/C(=C/c2ccc(cc2)[NH+]2CCCCCC2)/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 C18H21N3O2S MW 343.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O2S/c1-20-17(23)15(16(22)19-18(20)24)12-13-6-8-14(9-7-13)21-10-4-2-3-5-11-21/h6-9,12H,2-5,10-11H2,1H3,(H,19,22,24)/b15-12-InChIKey
VUKDEDOJFYPNSZ-QINSGFPZSA-NSynonyms
846590-92-9(5Z)5(4(azepanium1yl)benzylidene)1methyl46dioxo1456tetrahydropyrimidine2thiolate
846590929
CN1C(=NC(=O)C(=Cc2ccc(cc2)(NH+)2CCCCCC2)C1=O)(S)
MFCD18249543
ZINC000005215675
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