Vitas-M small molecule compound

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

Catalog ID
STL529189
SMILES CC(C[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)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 C30H38N4O6S MW 582.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N4O6S/c1-19(2)16-26(33-41(39,40)23-10-8-20(3)9-11-23)29(36)34-14-12-21(13-15-34)28(35)32-27(30(37)38)17-22-18-31-25-7-5-4-6-24(22)25/h4-11,18-19,21,26-27,31,33H,12-17H2,1-3H3,(H,32,35)(H,37,38)/t26-,27-/m0/s1
InChIKey
USRRJWRZKKWGJD-SVBPBHIXSA-N
Synonyms
956920-08-4
(2~(S))3(1~(H)indol3yl)2((1((2~(S))4methyl2((4methylphenyl)sulfonylamino)pentanoyl)piperidine4carbonyl)amino)propanoicacid
(S)3(1Hindol3yl)2(1((S)4methyl2(4methylphenylsulfonamido)pentanoyl)piperidine4carboxamido)propanoicacid
16400308
956920084
CC(C(C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)O)Cc1c(nH)c2c1cccc2)NS(=O)(=O)c1ccc(cc1)C)C
InChI=1SC30H38N4O6Sc119(2)1626(3341(3940)2310820(3)91123)29(36)34141221(131534)28(35)3227(30(37)38)1722183125754624(22)25h41118192126273133H1217H213H3(H3235)(H3738)t2627m0s1
N((1(N((4methylphenyl)sulfonyl)Lleucyl)piperidin4yl)carbonyl)Ltryptophan
ZINC000070687295
ZINC70687295

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Available files

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