Vitas-M small molecule compound
tert-butyl (2S)-2-{[4-({(2S)-1-[(4-ethoxyphenyl)amino]-3-methyl-1-oxobutan-2-yl}carbamoyl)piperidin-1-yl]carbonyl}pyrrolidine-1-carboxylate
Catalog ID
STL528983
SMILES CCOc1ccc(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 C29H44N4O6 MW 544.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H44N4O6/c1-7-38-22-12-10-21(11-13-22)30-26(35)24(19(2)3)31-25(34)20-14-17-32(18-15-20)27(36)23-9-8-16-33(23)28(37)39-29(4,5)6/h10-13,19-20,23-24H,7-9,14-18H2,1-6H3,(H,30,35)(H,31,34)/t23-,24-/m0/s1InChIKey
KHURXKJWRKALMG-ZEQRLZLVSA-NSynonyms
956925-63-6(S)tertbutyl2(4(((S)1((4ethoxyphenyl)amino)3methyl1oxobutan2yl)carbamoyl)piperidine1carbonyl)pyrrolidine1carboxylate
~(tert)butyl(2~(S))2(4(((2~(S))1(4ethoxyanilino)3methyl1oxobutan2yl)carbamoyl)piperidine1carbonyl)pyrrolidine1carboxylate
16402134
956925636
CCOc1ccc(cc1)NC(=O)(C@H)(C(C)C)NC(=O)C1CCN(CC1)C(=O)(C@@H)1CCCN1C(=O)OC(C)(C)C
InChI=1SC29H44N4O6c173822121021(111322)3026(35)24(19(2)3)3125(34)20141732(181520)27(36)23981633(23)28(37)3929(45)6h101319202324H791418H216H3(H3035)(H3134)t2324m0s1
tertbutyl(2S)2((4(((2S)1((4ethoxyphenyl)amino)3methyl1oxobutan2yl)carbamoyl)piperidin1yl)carbonyl)pyrrolidine1carboxylate
ZINC000070692116
ZINC70692116
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.