Vitas-M small molecule compound
tert-butyl 2-{[4-({(2S)-1-[(2-methoxybenzyl)amino]-3-methyl-1-oxobutan-2-yl}carbamoyl)piperidin-1-yl]carbonyl}pyrrolidine-1-carboxylate
Catalog ID
STL533036
SMILES COc1ccccc1CNC(=O)[C@H](C(C)C)NC(=O)C1CCN(CC1)C(=O)C1CCCN1C(=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/c1-19(2)24(26(35)30-18-21-10-7-8-12-23(21)38-6)31-25(34)20-13-16-32(17-14-20)27(36)22-11-9-15-33(22)28(37)39-29(3,4)5/h7-8,10,12,19-20,22,24H,9,11,13-18H2,1-6H3,(H,30,35)(H,31,34)/t22?,24-/m0/s1InChIKey
TZDNQXHJIUCEPM-GITCGBDTSA-NSynonyms
(S)tertbutyl2(4(((S)1((2methoxybenzyl)amino)3methyl1oxobutan2yl)carbamoyl)piperidine1carbonyl)pyrrolidine1carboxylate
~(tert)butyl2(4(((2~(S))1((2methoxyphenyl)methylamino)3methyl1oxobutan2yl)carbamoyl)piperidine1carbonyl)pyrrolidine1carboxylate
53389575
COc1ccccc1CNC(=O)(C@H)(C(C)C)NC(=O)C1CCN(CC1)C(=O)(C@@H)1CCCN1C(=O)OC(C)(C)C
InChI=1SC29H44N4O6c119(2)24(26(35)30182110781223(21)386)3125(34)20131632(171420)27(36)221191533(22)28(37)3929(34)5h78101219202224H9111318H216H3(H3035)(H3134)t22?24m0s1
tertbutyl2((4(((2S)1((2methoxybenzyl)amino)3methyl1oxobutan2yl)carbamoyl)piperidin1yl)carbonyl)pyrrolidine1carboxylate
ZINC000038140499
ZINC000107381463
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