Vitas-M small molecule compound

tert-butyl {(2S)-1-[4-({(2S)-1-[(4-methoxybenzyl)amino]-3-methyl-1-oxobutan-2-yl}carbamoyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl}carbamate

Catalog ID
STL529158
SMILES COc1ccc(cc1)CNC(=O)[C@H](C(C)C)NC(=O)C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=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 C33H46N4O6 MW 594.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H46N4O6/c1-22(2)28(30(39)34-21-24-12-14-26(42-6)15-13-24)36-29(38)25-16-18-37(19-17-25)31(40)27(20-23-10-8-7-9-11-23)35-32(41)43-33(3,4)5/h7-15,22,25,27-28H,16-21H2,1-6H3,(H,34,39)(H,35,41)(H,36,38)/t27-,28-/m0/s1
InChIKey
MIINJRYUXCCDDV-NSOVKSMOSA-N
Synonyms
957024-50-9
~(tert)butyl~(N)((2~(S))1(4(((2~(S))1((4methoxyphenyl)methylamino)3methyl1oxobutan2yl)carbamoyl)piperidin1yl)1oxo3phenylpropan2yl)carbamate
16400587
957024509
COc1ccc(cc1)CNC(=O)(C@H)(C(C)C)NC(=O)C1CCN(CC1)C(=O)(C@H)(Cc1ccccc1)NC(=O)OC(C)(C)C
InChI=1SC33H46N4O6c122(2)28(30(39)342124121426(426)151324)3629(38)25161837(191725)31(40)27(2023108791123)3532(41)4333(34)5h71522252728H1621H216H3(H3439)(H3541)(H3638)t2728m0s1
tertbutyl((2S)1(4(((2S)1((4methoxybenzyl)amino)3methyl1oxobutan2yl)carbamoyl)piperidin1yl)1oxo3phenylpropan2yl)carbamate
tertbutyl((S)1(4(((S)1((4methoxybenzyl)amino)3methyl1oxobutan2yl)carbamoyl)piperidin1yl)1oxo3phenylpropan2yl)carbamate
ZINC000070687592
ZINC70687592

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Available files

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