Vitas-M small molecule compound

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

Catalog ID
STK588039
SMILES COC(=O)[C@H](Cc1ccccc1)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 C26H33N3O6S MW 515.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O6S/c1-18-9-11-22(12-10-18)36(33,34)28-19(2)25(31)29-15-13-21(14-16-29)24(30)27-23(26(32)35-3)17-20-7-5-4-6-8-20/h4-12,19,21,23,28H,13-17H2,1-3H3,(H,27,30)/t19-,23-/m0/s1
InChIKey
ZNLYMBCKKWUGRJ-CVDCTZTESA-N
Synonyms

(S)methyl2(1((S)2(4methylphenylsulfonamido)propanoyl)piperidine4carboxamido)3phenylpropanoatehydrochloride
CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)N2CCC(CC2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC
COC(=O)(C@H)(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)(C@@H)(NS(=O)(=O)c1ccc(cc1)C)C
COC(=O)(C@H)(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)(C@@H)(NS(=O)(=O)c1ccc(cc1)C)CCl
InChI=1SC26H33N3O6Sc11891122(121018)36(3334)2819(2)25(31)29151321(141629)24(30)2723(26(32)353)17207546820h41219212328H1317H213H3(H2730)t1923m0s1
methyl(2S)2((1((2S)2((4methylphenyl)sulfonylamino)propanoyl)piperidine4carbonyl)amino)3phenylpropanoate
methylN((1(N((4methylphenyl)sulfonyl)Lalanyl)piperidin4yl)carbonyl)Lphenylalaninate
MFCD04196497
ZINC000009252733
ZINC09252733
ZINC9252733

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Available files

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