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Vitas-M small molecule compound

Nalpha-({1-[N-(tert-butoxycarbonyl)-L-leucyl]piperidin-4-yl}carbonyl)-N-(2-fluorobenzyl)-L-phenylalaninamide

Catalog ID
STK568455
SMILES CC(C[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)NCc1ccccc1F)Cc1ccccc1)NC(=O)OC(C)(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 C33H45FN4O5 MW 596.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H45FN4O5/c1-22(2)19-28(37-32(42)43-33(3,4)5)31(41)38-17-15-24(16-18-38)29(39)36-27(20-23-11-7-6-8-12-23)30(40)35-21-25-13-9-10-14-26(25)34/h6-14,22,24,27-28H,15-21H2,1-5H3,(H,35,40)(H,36,39)(H,37,42)/t27-,28-/m0/s1
InChIKey
XDOQHHJGANHOGJ-NSOVKSMOSA-N
Synonyms

CC(C(C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)NCc1ccccc1F)Cc1ccccc1)NC(=O)OC(C)(C)C)C
CC(C)CC(C(=O)N1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3F)NC(=O)OC(C)(C)C
InChI=1SC33H45FN4O5c122(2)1928(3732(42)4333(34)5)31(41)38171524(161838)29(39)3627(2023117681223)30(40)352125139101426(25)34h61422242728H1521H215H3(H3540)(H3639)(H3742)t2728m0s1
MFCD05729591
Nalpha((1(N(tertbutoxycarbonyl)Lleucyl)piperidin4yl)carbonyl)N(2fluorobenzyl)Lphenylalaninamide
tertbutyl((S)1(4(((S)1((2fluorobenzyl)amino)1oxo3phenylpropan2yl)carbamoyl)piperidin1yl)4methyl1oxopentan2yl)carbamate
tertbutylN((2S)1(4(((2S)1((2fluorophenyl)methylamino)1oxo3phenylpropan2yl)carbamoyl)piperidin1yl)4methyl1oxopentan2yl)carbamate
ZINC000102181559
ZINC102181559

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Available files

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

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