Vitas-M small molecule compound

tert-butyl (2S)-2-{[4-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-3-phenylpropan-2-yl}carbamoyl)piperidin-1-yl]carbonyl}pyrrolidine-1-carboxylate

Catalog ID
STL528932
SMILES O=C([C@H](Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)NCc1ccc(cc1)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 C33H44N4O5 MW 576.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N4O5/c1-23-12-14-25(15-13-23)22-34-30(39)27(21-24-9-6-5-7-10-24)35-29(38)26-16-19-36(20-17-26)31(40)28-11-8-18-37(28)32(41)42-33(2,3)4/h5-7,9-10,12-15,26-28H,8,11,16-22H2,1-4H3,(H,34,39)(H,35,38)/t27-,28-/m0/s1
InChIKey
BHJYICFZGHLIDA-NSOVKSMOSA-N
Synonyms
956955-17-2
(S)tertbutyl2(4(((S)1((4methylbenzyl)amino)1oxo3phenylpropan2yl)carbamoyl)piperidine1carbonyl)pyrrolidine1carboxylate
~(tert)butyl(2~(S))2(4(((2~(S))1((4methylphenyl)methylamino)1oxo3phenylpropan2yl)carbamoyl)piperidine1carbonyl)pyrrolidine1carboxylate
16399690
956955172
InChI=1SC33H44N4O5c123121425(151323)223430(39)27(212496571024)3529(38)26161936(201726)31(40)281181837(28)32(41)4233(23)4h5791012152628H8111622H214H3(H3439)(H3538)t2728m0s1
O=C((C@H)(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)(C@@H)1CCCN1C(=O)OC(C)(C)C)NCc1ccc(cc1)C
tertbutyl(2S)2((4(((2S)1((4methylbenzyl)amino)1oxo3phenylpropan2yl)carbamoyl)piperidin1yl)carbonyl)pyrrolidine1carboxylate
ZINC000070686720
ZINC70686720

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Available files

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