Vitas-M small molecule compound

dimethyl (2S,2'S)-2,2'-[piperazine-1,4-diylbis(carbonylimino)]bis(4-methylpentanoate) (non-preferred name)

Catalog ID
STK716631
SMILES COC(=O)[C@@H](NC(=O)N1CCN(CC1)C(=O)N[C@H](C(=O)OC)CC(C)C)CC(C)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 C20H36N4O6 MW 428.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H36N4O6/c1-13(2)11-15(17(25)29-5)21-19(27)23-7-9-24(10-8-23)20(28)22-16(12-14(3)4)18(26)30-6/h13-16H,7-12H2,1-6H3,(H,21,27)(H,22,28)/t15-,16-/m0/s1
InChIKey
MGYIOASIVWQLEQ-HOTGVXAUSA-N
Synonyms
1173661-02-3
(2S2S)dimethyl22((piperazine14dicarbonyl)bis(azanediyl))bis(4methylpentanoate)
1173661023
CC(C)CC(C(=O)OC)NC(=O)N1CCN(CC1)C(=O)NC(CC(C)C)C(=O)OC
COC(=O)(C@@H)(NC(=O)N1CCN(CC1)C(=O)N(C@H)(C(=O)OC)CC(C)C)CC(C)C
dimethyl(2S2S)22(piperazine14diylbis(carbonylimino))bis(4methylpentanoate)(nonpreferredname)
InChI=1SC20H36N4O6c113(2)1115(17(25)295)2119(27)237924(10823)20(28)2216(1214(3)4)18(26)306h1316H712H216H3(H2127)(H2228)t1516m0s1
METHYL(2S)2((4(((2S)1METHOXY4METHYL1OXOPENTAN2YL)CARBAMOYL)PIPERAZINE1CARBONYL)AMINO)4METHYLPENTANOATE
MFCD06790725
ZINC000005347963
ZINC05347963
ZINC5347963

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.