Vitas-M small molecule compound

1-(L-methionyl)-N-{(2S)-3-methyl-1-oxo-1-[(1-phenylethyl)amino]butan-2-yl}piperidine-4-carboxamide

Catalog ID
STL528770
SMILES CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)NC(c1ccccc1)C)C(C)C)N

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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 C24H38N4O3S MW 462.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H38N4O3S/c1-16(2)21(23(30)26-17(3)18-8-6-5-7-9-18)27-22(29)19-10-13-28(14-11-19)24(31)20(25)12-15-32-4/h5-9,16-17,19-21H,10-15,25H2,1-4H3,(H,26,30)(H,27,29)/t17?,20-,21-/m0/s1
InChIKey
LPRHDKVWFZMSMR-FUKGKQRISA-N
Synonyms

1((2~(S))2amino4methylsulfanylbutanoyl)~(N)((2~(S))3methyl1oxo1(1phenylethylamino)butan2yl)piperidine4carboxamide
1((S)2amino4(methylthio)butanoyl)N((2R)3methyl1oxo1((1phenylethyl)amino)butan2yl)piperidine4carboxamide
1((S)2amino4(methylthio)butanoyl)N((2S)3methyl1oxo1((1phenylethyl)amino)butan2yl)piperidine4carboxamidehydrochloride
1(Lmethionyl)N((2S)3methyl1oxo1((1phenylethyl)amino)butan2yl)piperidine4carboxamide
16401918
CSCC(C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@@H)(C(=O)NC(c1ccccc1)C)C(C)C)N
CSCC(C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)NC(c1ccccc1)C)C(C)C)NCl
InChI=1SC24H38N4O3Sc116(2)21(23(30)2617(3)188657918)2722(29)19101328(141119)24(31)20(25)1215324h5916171921H101525H214H3(H2630)(H2729)t17?2021m0s1
ZINC000009109017
ZINC000012872258

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Available files

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