Vitas-M small molecule compound

tert-butyl (2S)-2-{[4-({(2R)-1-[(4-ethylphenyl)amino]-3-methyl-1-oxobutan-2-yl}carbamoyl)piperidin-1-yl]carbonyl}pyrrolidine-1-carboxylate

Catalog ID
STL528676
SMILES CCc1ccc(cc1)NC(=O)[C@@H](C(C)C)NC(=O)C1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)OC(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 C29H44N4O5 MW 528.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H44N4O5/c1-7-20-10-12-22(13-11-20)30-26(35)24(19(2)3)31-25(34)21-14-17-32(18-15-21)27(36)23-9-8-16-33(23)28(37)38-29(4,5)6/h10-13,19,21,23-24H,7-9,14-18H2,1-6H3,(H,30,35)(H,31,34)/t23-,24+/m0/s1
InChIKey
QOUDWAHLJJVNEE-BJKOFHAPSA-N
Synonyms
956960-96-6
(S)tertbutyl2(4(((R)1((4ethylphenyl)amino)3methyl1oxobutan2yl)carbamoyl)piperidine1carbonyl)pyrrolidine1carboxylate
~(tert)butyl(2~(S))2(4(((2~(R))1(4ethylanilino)3methyl1oxobutan2yl)carbamoyl)piperidine1carbonyl)pyrrolidine1carboxylate
16403402
956960966
CCc1ccc(cc1)NC(=O)(C@@H)(C(C)C)NC(=O)C1CCN(CC1)C(=O)(C@@H)1CCCN1C(=O)OC(C)(C)C
InChI=1SC29H44N4O5c1720101222(131120)3026(35)24(19(2)3)3125(34)21141732(181521)27(36)23981633(23)28(37)3829(45)6h101319212324H791418H216H3(H3035)(H3134)t2324+m0s1
tertbutyl(2S)2((4(((2R)1((4ethylphenyl)amino)3methyl1oxobutan2yl)carbamoyl)piperidin1yl)carbonyl)pyrrolidine1carboxylate
ZINC000012880150
ZINC12880150

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Available files

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