Vitas-M small molecule compound
(S,E)-3-((S)-sec-butyl)-6-(4-methoxybenzylidene)piperazine-2,5-dione
Catalog ID
STL526921
SMILES CCC([C@@H]1NC(=O)/C(=C\c2ccc(cc2)OC)/NC1=O)C
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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 C16H20N2O3 MW 288.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O3/c1-4-10(2)14-16(20)17-13(15(19)18-14)9-11-5-7-12(21-3)8-6-11/h5-10,14H,4H2,1-3H3,(H,17,20)(H,18,19)/b13-9+/t10?,14-/m0/s1InChIKey
XPJJUJNUOQADOQ-IQWKAMEASA-NSynonyms
(3~(S)6~(E))3butan2yl6((4methoxyphenyl)methylidene)piperazine25dione
(SE)3((S)secbutyl)6(4methoxybenzylidene)piperazine25dione
16397430
CCC((C@@H)1NC(=O)C(=Cc2ccc(cc2)OC)NC1=O)C
InChI=1SC16H20N2O3c1410(2)1416(20)1713(15(19)1814)9115712(213)8611h51014H4H213H3(H1720)(H1819)b139+t10?14m0s1
MFCD32649852
ZINC000004029350
ZINC000012660544
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