Vitas-M small molecule compound

(2S,3S)-2-(1-((S)-1-(tert-butoxycarbonyl)pyrrolidine-2-carbonyl)-4-phenylpiperidine-4-carboxamido)-3-hydroxybutanoic acid

Catalog ID
STL532129
SMILES CC([C@@H](C(=O)O)NC(=O)C1(CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1)O

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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 C26H37N3O7 MW 503.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H37N3O7/c1-17(30)20(22(32)33)27-23(34)26(18-9-6-5-7-10-18)12-15-28(16-13-26)21(31)19-11-8-14-29(19)24(35)36-25(2,3)4/h5-7,9-10,17,19-20,30H,8,11-16H2,1-4H3,(H,27,34)(H,32,33)/t17?,19-,20-/m0/s1
InChIKey
SHIPLYKYXGTSKL-MFUMQWNRSA-N
Synonyms
956958-08-0
(2~(S))3hydroxy2((1((2~(S))1((2methylpropan2yl)oxycarbonyl)pyrrolidine2carbonyl)4phenylpiperidine4carbonyl)amino)butanoicacid
(2R3R)2(1((S)1(tertbutoxycarbonyl)pyrrolidine2carbonyl)4phenylpiperidine4carboxamido)3hydroxybutanoicacid
16405313
956958080
CC((C@H)(C(=O)O)NC(=O)C1(CCN(CC1)C(=O)(C@@H)1CCCN1C(=O)OC(C)(C)C)c1ccccc1)O
InChI=1SC26H37N3O7c117(30)20(22(32)33)2723(34)26(1896571018)121528(161326)21(31)191181429(19)24(35)3625(23)4h5791017192030H81116H214H3(H2734)(H3233)t17?1920m0s1
MFCD06769997
ZINC000012887400
ZINC000012887410

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Available files

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