Vitas-M small molecule compound

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

Catalog ID
STL004740
SMILES CC(C[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)NCc1ccc(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 C28H44N4O5 MW 516.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H44N4O5/c1-18(2)16-23(31-27(36)37-28(5,6)7)26(35)32-14-12-22(13-15-32)25(34)30-20(4)24(33)29-17-21-10-8-19(3)9-11-21/h8-11,18,20,22-23H,12-17H2,1-7H3,(H,29,33)(H,30,34)(H,31,36)/t20-,23-/m0/s1
InChIKey
KIBOHUOIMRICOL-REWPJTCUSA-N
Synonyms
956812-16-1
956812161
CC(C(C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)NCc1ccc(cc1)C)C)NC(=O)OC(C)(C)C)C
CC1=CC=C(C=C1)CNC(=O)C(C)NC(=O)C2CCN(CC2)C(=O)C(CC(C)C)NC(=O)OC(C)(C)C
InChI=1SC28H44N4O5c118(2)1623(3127(36)3728(56)7)26(35)32141222(131532)25(34)3020(4)24(33)29172110819(3)91121h81118202223H1217H217H3(H2933)(H3034)(H3136)t2023m0s1
MFCD04145453
TERTBUTYL((2S)4METHYL1(4(((2S)1((4METHYLBENZYL)AMINO)1OXOPROPAN2YL)CARBAMOYL)PIPERIDIN1YL)1OXOPENTAN2YL)CARBAMATE
tertbutyl((S)4methyl1(4(((S)1((4methylbenzyl)amino)1oxopropan2yl)carbamoyl)piperidin1yl)1oxopentan2yl)carbamate
tertbutylN((2S)4methyl1(4(((2S)1((4methylphenyl)methylamino)1oxopropan2yl)carbamoyl)piperidin1yl)1oxopentan2yl)carbamate
ZINC000012860494
ZINC12860494

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Available files

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