Vitas-M small molecule compound

tert-butyl {(2S)-1-[4-({(2S)-1-[(2-methoxyphenyl)amino]-1-oxopropan-2-yl}carbamoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl}carbamate

Catalog ID
STL565889
SMILES COc1ccccc1NC(=O)[C@@H](NC(=O)C1CCN(CC1)C(=O)[C@@H](NC(=O)OC(C)(C)C)CC(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 C27H42N4O6 MW 518.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42N4O6/c1-17(2)16-21(30-26(35)37-27(4,5)6)25(34)31-14-12-19(13-15-31)24(33)28-18(3)23(32)29-20-10-8-9-11-22(20)36-7/h8-11,17-19,21H,12-16H2,1-7H3,(H,28,33)(H,29,32)(H,30,35)/t18-,21-/m0/s1
InChIKey
MPLKPTVWFMZJAW-RXVVDRJESA-N
Synonyms
956933-41-8
16400937
956933418
COc1ccccc1NC(=O)(C@@H)(NC(=O)C1CCN(CC1)C(=O)(C@@H)(NC(=O)OC(C)(C)C)CC(C)C)C
InChI=1SC27H42N4O6c117(2)1621(3026(35)3727(45)6)25(34)31141219(131531)24(33)2818(3)23(32)292010891122(20)367h811171921H1216H217H3(H2833)(H2932)(H3035)t1821m0s1
MFCD05672265
tertbutyl((2S)1(4(((2S)1((2methoxyphenyl)amino)1oxopropan2yl)carbamoyl)piperidin1yl)4methyl1oxopentan2yl)carbamate
tertbutyl((S)1(4(((S)1((2methoxyphenyl)amino)1oxopropan2yl)carbamoyl)piperidin1yl)4methyl1oxopentan2yl)carbamate
tertbutylN((2S)1(4(((2S)1(2methoxyanilino)1oxopropan2yl)carbamoyl)piperidin1yl)4methyl1oxopentan2yl)carbamate
ZINC000012866816

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Available files

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