Vitas-M small molecule compound
(5E)-1-hexyl-5-({[2-(morpholin-4-ium-4-yl)phenyl]amino}methylidene)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL041995
SMILES CCCCCCN1C(=NC(=O)/C(=C\Nc2ccccc2[NH+]2CCOCC2)/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 C21H28N4O3S MW 416.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O3S/c1-2-3-4-7-10-25-20(27)16(19(26)23-21(25)29)15-22-17-8-5-6-9-18(17)24-11-13-28-14-12-24/h5-6,8-9,15,22H,2-4,7,10-14H2,1H3,(H,23,26,29)/b16-15+InChIKey
ZGNXAKPEOWTHEV-FOCLMDBBSA-NSynonyms
(5E)1hexyl5(((2(morpholin4ium4yl)phenyl)amino)methylidene)46dioxo1456tetrahydropyrimidine2thiolate
CCCCCCN1C(=NC(=O)C(=CNc2ccccc2(NH+)2CCOCC2)C1=O)(S)
MFCD18248130
ZINC000016955801
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