Vitas-M small molecule compound
(5Z)-5-[4-(azepanium-1-yl)benzylidene]-1-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL048415
SMILES CCN1C(=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 C19H23N3O2S MW 357.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O2S/c1-2-22-18(24)16(17(23)20-19(22)25)13-14-7-9-15(10-8-14)21-11-5-3-4-6-12-21/h7-10,13H,2-6,11-12H2,1H3,(H,20,23,25)/b16-13-InChIKey
SUYJUDOAPHGQEX-SSZFMOIBSA-NSynonyms
(5Z)5(4(azepanium1yl)benzylidene)1ethyl46dioxo1456tetrahydropyrimidine2thiolate
844455932
CCN1C(=NC(=O)C(=Cc2ccc(cc2)(NH+)2CCCCCC2)C1=O)(S)
MFCD18249194
ZINC000005144124
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