Vitas-M small molecule compound

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

Catalog ID
STL529389
SMILES CC(C[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)Nc1ccc(cc1)C)C)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 C27H42N4O5 MW 502.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42N4O5/c1-17(2)16-22(30-26(35)36-27(5,6)7)25(34)31-14-12-20(13-15-31)24(33)28-19(4)23(32)29-21-10-8-18(3)9-11-21/h8-11,17,19-20,22H,12-16H2,1-7H3,(H,28,33)(H,29,32)(H,30,35)/t19-,22-/m0/s1
InChIKey
PIBCKNBUVZCYDU-UGKGYDQZSA-N
Synonyms
956992-28-2
~(tert)butyl~(N)((2~(S))4methyl1(4(((2~(S))1(4methylanilino)1oxopropan2yl)carbamoyl)piperidin1yl)1oxopentan2yl)carbamate
16402487
956992282
CC(C(C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)Nc1ccc(cc1)C)C)NC(=O)OC(C)(C)C)C
InChI=1SC27H42N4O5c117(2)1622(3026(35)3627(56)7)25(34)31141220(131531)24(33)2819(4)23(32)292110818(3)91121h81117192022H1216H217H3(H2833)(H2932)(H3035)t1922m0s1
tertbutyl((2S)4methyl1(4(((2S)1((4methylphenyl)amino)1oxopropan2yl)carbamoyl)piperidin1yl)1oxopentan2yl)carbamate
tertbutyl((S)4methyl1oxo1(4(((S)1oxo1(ptolylamino)propan2yl)carbamoyl)piperidin1yl)pentan2yl)carbamate
ZINC000008788776
ZINC8788776

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Available files

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