Vitas-M small molecule compound

tert-butyl [(2S)-1-[4-({(2S)-1-[(2-methoxy-5-methylphenyl)amino]-1-oxopropan-2-yl}carbamoyl)piperidin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamate

Catalog ID
STL529031
SMILES CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)Nc1cc(C)ccc1OC)C)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 C27H42N4O6S MW 550.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42N4O6S/c1-17-8-9-22(36-6)21(16-17)29-23(32)18(2)28-24(33)19-10-13-31(14-11-19)25(34)20(12-15-38-7)30-26(35)37-27(3,4)5/h8-9,16,18-20H,10-15H2,1-7H3,(H,28,33)(H,29,32)(H,30,35)/t18-,20-/m0/s1
InChIKey
BSECBMGRTHHNJL-ICSRJNTNSA-N
Synonyms
956998-75-7
~(tert)butyl~(N)((2~(S))1(4(((2~(S))1(2methoxy5methylanilino)1oxopropan2yl)carbamoyl)piperidin1yl)4methylsulfanyl1oxobutan2yl)carbamate
16401340
956998757
CSCC(C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)Nc1cc(C)ccc1OC)C)NC(=O)OC(C)(C)C
InChI=1SC27H42N4O6Sc1178922(366)21(1617)2923(32)18(2)2824(33)19101331(141119)25(34)20(1215387)3026(35)3727(34)5h89161820H1015H217H3(H2833)(H2932)(H3035)t1820m0s1
tertbutyl((2S)1(4(((2S)1((2methoxy5methylphenyl)amino)1oxopropan2yl)carbamoyl)piperidin1yl)4(methylsulfanyl)1oxobutan2yl)carbamate
tertbutyl((S)1(4(((S)1((2methoxy5methylphenyl)amino)1oxopropan2yl)carbamoyl)piperidin1yl)4(methylthio)1oxobutan2yl)carbamate
ZINC000070691638
ZINC70691638

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Available files

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