Vitas-M small molecule compound
(5E)-5-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1-ethyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK582061
SMILES CCN1C(=NC(=O)/C(=C\c2cn(c3c2cccc3)CC(=O)N2CCCCCC2)/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 C23H26N4O3S MW 438.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O3S/c1-2-27-22(30)18(21(29)24-23(27)31)13-16-14-26(19-10-6-5-9-17(16)19)15-20(28)25-11-7-3-4-8-12-25/h5-6,9-10,13-14H,2-4,7-8,11-12,15H2,1H3,(H,24,29,31)/b18-13+InChIKey
KGKTUQWKCVEOLJ-QGOAFFKASA-NSynonyms
840457-81-0840457810
CCN1C(=NC(=O)C(=Cc2cn(c3c2cccc3)CC(=O)N2CCCCCC2)C1=O)S
MFCD07202760
ZINC000009111501
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