Vitas-M small molecule compound
(2S,3R)-2-((2S,3S)-2-(3-hydroxy-1,2-dihydroquinoxaline-1-carboxamido)-3-methylpentanamido)-3-methylpentanoic acid
Catalog ID
STL529681
SMILES CCC([C@@H](C(=O)N[C@@H](C(CC)C)C(=O)O)NC(=O)N1CC(=Nc2c1cccc2)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 C21H30N4O5 MW 418.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N4O5/c1-5-12(3)17(19(27)23-18(20(28)29)13(4)6-2)24-21(30)25-11-16(26)22-14-9-7-8-10-15(14)25/h7-10,12-13,17-18H,5-6,11H2,1-4H3,(H,22,26)(H,23,27)(H,24,30)(H,28,29)/t12?,13?,17-,18-/m0/s1InChIKey
YIUVWIYYICLYRK-YCWMGOOZSA-NSynonyms
956998-33-7(2~(S))3methyl2(((2~(S))3methyl2((3oxo24dihydroquinoxaline1carbonyl)amino)pentanoyl)amino)pentanoicacid
16406444
956998337
InChI=1SC21H30N4O5c1512(3)17(19(27)2318(20(28)29)13(4)62)2421(30)251116(26)22149781015(14)25h71012131718H5611H214H3(H2226)(H2327)(H2430)(H2829)t12?13?1718m0s1
ZINC000012889778
ZINC000020758713
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