Vitas-M small molecule compound

N-[(1-{N-[(4-methylphenyl)sulfonyl]-L-methionyl}piperidin-4-yl)carbonyl]-L-valine

Catalog ID
STL548438
SMILES CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)O)C(C)C)NS(=O)(=O)c1ccc(cc1)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 C23H35N3O6S2 MW 513.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H35N3O6S2/c1-15(2)20(23(29)30)24-21(27)17-9-12-26(13-10-17)22(28)19(11-14-33-4)25-34(31,32)18-7-5-16(3)6-8-18/h5-8,15,17,19-20,25H,9-14H2,1-4H3,(H,24,27)(H,29,30)/t19-,20-/m0/s1
InChIKey
JWKYKNSNJGGLQI-PMACEKPBSA-N
Synonyms
956954-68-0
(2~(S))3methyl2((1((2~(S))2((4methylphenyl)sulfonylamino)4methylsulfanylbutanoyl)piperidine4carbonyl)amino)butanoicacid
(S)3methyl2(1((S)2(4methylphenylsulfonamido)4(methylthio)butanoyl)piperidine4carboxamido)butanoicacid
16400044
956954680
CSCC(C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)O)C(C)C)NS(=O)(=O)c1ccc(cc1)C
InChI=1SC23H35N3O6S2c115(2)20(23(29)30)2421(27)1791226(131017)22(28)19(1114334)2534(3132)187516(3)6818h581517192025H914H214H3(H2427)(H2930)t1920m0s1
N((1(N((4methylphenyl)sulfonyl)Lmethionyl)piperidin4yl)carbonyl)Lvaline
ZINC000012863110
ZINC12863110

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Available files

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