Vitas-M small molecule compound
tert-butyl [(2S)-1-[4-({(2S)-2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl}carbonyl)piperidin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamate
Catalog ID
STL546548
SMILES CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)N1CCC[C@H]1C(=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 C28H42N4O5S MW 546.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H42N4O5S/c1-19-8-10-21(11-9-19)29-24(33)23-7-6-15-32(23)25(34)20-12-16-31(17-13-20)26(35)22(14-18-38-5)30-27(36)37-28(2,3)4/h8-11,20,22-23H,6-7,12-18H2,1-5H3,(H,29,33)(H,30,36)/t22-,23-/m0/s1InChIKey
BPHSEIZLGUTRAA-GOTSBHOMSA-NSynonyms
956913-20-5~(tert)butyl~(N)((2~(S))1(4((2~(S))2((4methylphenyl)carbamoyl)pyrrolidine1carbonyl)piperidin1yl)4methylsulfanyl1oxobutan2yl)carbamate
16400170
956913205
CSCC(C@@H)(C(=O)N1CCC(CC1)C(=O)N1CCC(C@H)1C(=O)Nc1ccc(cc1)C)NC(=O)OC(C)(C)C
InChI=1SC28H42N4O5Sc11981021(11919)2924(33)23761532(23)25(34)20121631(171320)26(35)22(1418385)3027(36)3728(23)4h811202223H671218H215H3(H2933)(H3036)t2223m0s1
tertbutyl((2S)1(4(((2S)2((4methylphenyl)carbamoyl)pyrrolidin1yl)carbonyl)piperidin1yl)4(methylsulfanyl)1oxobutan2yl)carbamate
tertbutyl((S)4(methylthio)1oxo1(4((S)2(ptolylcarbamoyl)pyrrolidine1carbonyl)piperidin1yl)butan2yl)carbamate
ZINC000070687123
ZINC70687123
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.