Vitas-M small molecule compound

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

Catalog ID
STL549098
SMILES CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)NCC(=O)Nc1ccc(cc1)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 C25H38N4O5S MW 506.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H38N4O5S/c1-17-6-8-19(9-7-17)27-21(30)16-26-22(31)18-10-13-29(14-11-18)23(32)20(12-15-35-5)28-24(33)34-25(2,3)4/h6-9,18,20H,10-16H2,1-5H3,(H,26,31)(H,27,30)(H,28,33)/t20-/m0/s1
InChIKey
ULXLMDNKOAWRSZ-FQEVSTJZSA-N
Synonyms
956913-49-8
(S)tertbutyl(4(methylthio)1oxo1(4((2oxo2(ptolylamino)ethyl)carbamoyl)piperidin1yl)butan2yl)carbamate
~(tert)butyl~(N)((2~(S))1(4((2(4methylanilino)2oxoethyl)carbamoyl)piperidin1yl)4methylsulfanyl1oxobutan2yl)carbamate
16399202
956913498
CSCC(C@@H)(C(=O)N1CCC(CC1)C(=O)NCC(=O)Nc1ccc(cc1)C)NC(=O)OC(C)(C)C
InChI=1SC25H38N4O5Sc1176819(9717)2721(30)162622(31)18101329(141118)23(32)20(1215355)2824(33)3425(23)4h691820H1016H215H3(H2631)(H2730)(H2833)t20m0s1
tertbutyl((2S)1(4((2((4methylphenyl)amino)2oxoethyl)carbamoyl)piperidin1yl)4(methylsulfanyl)1oxobutan2yl)carbamate
ZINC000012662282
ZINC12662282

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Available files

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