Vitas-M small molecule compound

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

Catalog ID
STL003777
SMILES CC(C[C@@H](C(=O)O)NC(=O)C1CCN(CC1)C(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)C)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 C22H33N3O6S MW 467.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H33N3O6S/c1-14(2)13-19(22(28)29)23-20(26)17-9-11-25(12-10-17)21(27)16(4)24-32(30,31)18-7-5-15(3)6-8-18/h5-8,14,16-17,19,24H,9-13H2,1-4H3,(H,23,26)(H,28,29)/t16-,19-/m0/s1
InChIKey
WULNRBIYOHXYSP-LPHOPBHVSA-N
Synonyms

(2S)4methyl2((1((2S)2((4methylphenyl)sulfonylamino)propanoyl)piperidine4carbonyl)amino)pentanoicacid
(S)4methyl2(1((S)2(4methylphenylsulfonamido)propanoyl)piperidine4carboxamido)pentanoicacid
CC(C(C@@H)(C(=O)O)NC(=O)C1CCN(CC1)C(=O)(C@@H)(NS(=O)(=O)c1ccc(cc1)C)C)C
CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)N2CCC(CC2)C(=O)NC(CC(C)C)C(=O)O
InChI=1SC22H33N3O6Sc114(2)1319(22(28)29)2320(26)1791125(121017)21(27)16(4)2432(3031)187515(3)6818h581416171924H913H214H3(H2326)(H2829)t1619m0s1
MFCD04159505
N((1(N((4methylphenyl)sulfonyl)Lalanyl)piperidin4yl)carbonyl)Lleucine
ZINC000009334763
ZINC9334763

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Available files

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