Vitas-M small molecule compound

(2S)-{[(1-{N-[(4-methylphenyl)sulfonyl]-L-alanyl}piperidin-4-yl)carbonyl]amino}(phenyl)ethanoic acid

Catalog ID
STL540522
SMILES OC(=O)[C@H](c1ccccc1)NC(=O)C1CCN(CC1)C(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)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 C24H29N3O6S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N3O6S/c1-16-8-10-20(11-9-16)34(32,33)26-17(2)23(29)27-14-12-19(13-15-27)22(28)25-21(24(30)31)18-6-4-3-5-7-18/h3-11,17,19,21,26H,12-15H2,1-2H3,(H,25,28)(H,30,31)/t17-,21-/m0/s1
InChIKey
PCWTVQMFECIUCV-UWJYYQICSA-N
Synonyms
956946-01-3
(2~(S))2((1((2~(S))2((4methylphenyl)sulfonylamino)propanoyl)piperidine4carbonyl)amino)2phenylaceticacid
(2S)(((1(N((4methylphenyl)sulfonyl)Lalanyl)piperidin4yl)carbonyl)amino)(phenyl)ethanoicacid
(S)2(1((S)2(4methylphenylsulfonamido)propanoyl)piperidine4carboxamido)2phenylaceticacid
16400831
956946013
InChI=1SC24H29N3O6Sc11681020(11916)34(3233)2617(2)23(29)27141219(131527)22(28)2521(24(30)31)186435718h31117192126H1215H212H3(H2528)(H3031)t1721m0s1
OC(=O)(C@H)(c1ccccc1)NC(=O)C1CCN(CC1)C(=O)(C@@H)(NS(=O)(=O)c1ccc(cc1)C)C
ZINC000008918418
ZINC8918418

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Available files

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