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tert-butyl [(2S)-1-[4-({(2S)-1-[(2-methoxy-5-methylphenyl)amino]-3-methyl-1-oxobutan-2-yl}carbamoyl)piperidin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamate

Catalog ID
STL537132
SMILES CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)Nc1cc(C)ccc1OC)C(C)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 C29H46N4O6S MW 578.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H46N4O6S/c1-18(2)24(26(35)30-22-17-19(3)9-10-23(22)38-7)32-25(34)20-11-14-33(15-12-20)27(36)21(13-16-40-8)31-28(37)39-29(4,5)6/h9-10,17-18,20-21,24H,11-16H2,1-8H3,(H,30,35)(H,31,37)(H,32,34)/t21-,24-/m0/s1
InChIKey
FPFNDEGKUBSFTE-URXFXBBRSA-N
Synonyms
956822-80-3
~(tert)butyl~(N)((2~(S))1(4(((2~(S))1(2methoxy5methylanilino)3methyl1oxobutan2yl)carbamoyl)piperidin1yl)4methylsulfanyl1oxobutan2yl)carbamate
16400199
956822803
CSCC(C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)Nc1cc(C)ccc1OC)C(C)C)NC(=O)OC(C)(C)C
InChI=1SC29H46N4O6Sc118(2)24(26(35)30221719(3)91023(22)387)3225(34)20111433(151220)27(36)21(1316408)3128(37)3929(45)6h9101718202124H1116H218H3(H3035)(H3137)(H3234)t2124m0s1
tertbutyl((2S)1(4(((2S)1((2methoxy5methylphenyl)amino)3methyl1oxobutan2yl)carbamoyl)piperidin1yl)4(methylsulfanyl)1oxobutan2yl)carbamate
tertbutyl((S)1(4(((S)1((2methoxy5methylphenyl)amino)3methyl1oxobutan2yl)carbamoyl)piperidin1yl)4(methylthio)1oxobutan2yl)carbamate
ZINC000070687169
ZINC70687169

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Available files

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

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