Vitas-M small molecule compound

methyl N-[(1-{N-[(4-methylphenyl)sulfonyl]-L-alanyl}piperidin-4-yl)carbonyl]-L-methioninate

Catalog ID
STL052068
SMILES CSCC[C@@H](C(=O)OC)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 C22H33N3O6S2 MW 499.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H33N3O6S2/c1-15-5-7-18(8-6-15)33(29,30)24-16(2)21(27)25-12-9-17(10-13-25)20(26)23-19(11-14-32-4)22(28)31-3/h5-8,16-17,19,24H,9-14H2,1-4H3,(H,23,26)/t16-,19-/m0/s1
InChIKey
QSOLLZGAMMLLOD-LPHOPBHVSA-N
Synonyms

(S)methyl2(1((S)2(4methylphenylsulfonamido)propanoyl)piperidine4carboxamido)4(methylthio)butanoatehydrochloride
CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)OC
CSCC(C@@H)(C(=O)OC)NC(=O)C1CCN(CC1)C(=O)(C@@H)(NS(=O)(=O)c1ccc(cc1)C)C
CSCC(C@@H)(C(=O)OC)NC(=O)C1CCN(CC1)C(=O)(C@@H)(NS(=O)(=O)c1ccc(cc1)C)CCl
InChI=1SC22H33N3O6S2c1155718(8615)33(2930)2416(2)21(27)2512917(101325)20(26)2319(1114324)22(28)313h5816171924H914H214H3(H2326)t1619m0s1
methyl(2S)2((1((2S)2((4methylphenyl)sulfonylamino)propanoyl)piperidine4carbonyl)amino)4methylsulfanylbutanoate
methylN((1(N((4methylphenyl)sulfonyl)Lalanyl)piperidin4yl)carbonyl)Lmethioninate
MFCD04181972
ZINC000009012829
ZINC09012829
ZINC9012829

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Available files

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