Vitas-M small molecule compound

(2S,3R)-2-(1-((S)-2-((tert-butoxycarbonyl)amino)-3-phenylpropanoyl)piperidine-4-carboxamido)-3-methylpentanoic acid

Catalog ID
STL537441
SMILES CCC([C@@H](C(=O)O)NC(=O)C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(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 C26H39N3O6 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H39N3O6/c1-6-17(2)21(24(32)33)28-22(30)19-12-14-29(15-13-19)23(31)20(16-18-10-8-7-9-11-18)27-25(34)35-26(3,4)5/h7-11,17,19-21H,6,12-16H2,1-5H3,(H,27,34)(H,28,30)(H,32,33)/t17?,20-,21-/m0/s1
InChIKey
DNOPEGFCUXYPCK-FUKGKQRISA-N
Synonyms
956942-27-1
(2~(S))3methyl2((1((2~(S))2((2methylpropan2yl)oxycarbonylamino)3phenylpropanoyl)piperidine4carbonyl)amino)pentanoicacid
(2S3R)2(1((S)2((tertbutoxycarbonyl)amino)3phenylpropanoyl)piperidine4carboxamido)3methylpentanoicacid
16399547
956942271
CCC((C@@H)(C(=O)O)NC(=O)C1CCN(CC1)C(=O)(C@H)(Cc1ccccc1)NC(=O)OC(C)(C)C)C
InChI=1SC26H39N3O6c1617(2)21(24(32)33)2822(30)19121429(151319)23(31)20(1618108791118)2725(34)3526(34)5h711171921H61216H215H3(H2734)(H2830)(H3233)t17?2021m0s1
ZINC000008917794
ZINC000012858212

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Available files

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