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Vitas-M small molecule compound

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

Catalog ID
STL004380
SMILES CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)NCc1ccccc1F)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 C28H43FN4O5S MW 566.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H43FN4O5S/c1-18(2)23(25(35)30-17-20-9-7-8-10-21(20)29)32-24(34)19-11-14-33(15-12-19)26(36)22(13-16-39-6)31-27(37)38-28(3,4)5/h7-10,18-19,22-23H,11-17H2,1-6H3,(H,30,35)(H,31,37)(H,32,34)/t22-,23-/m0/s1
InChIKey
JFVUJPXYNVXDRV-GOTSBHOMSA-N
Synonyms
956942-22-6
956942226
CC(C)C(C(=O)NCC1=CC=CC=C1F)NC(=O)C2CCN(CC2)C(=O)C(CCSC)NC(=O)OC(C)(C)C
CSCC(C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)NCc1ccccc1F)C(C)C)NC(=O)OC(C)(C)C
InChI=1SC28H43FN4O5Sc118(2)23(25(35)3017209781021(20)29)3224(34)19111433(151219)26(36)22(1316396)3127(37)3828(34)5h71018192223H1117H216H3(H3035)(H3137)(H3234)t2223m0s1
MFCD04144260
TERTBUTYL((2S)1(4(((2S)1((2FLUOROBENZYL)AMINO)3METHYL1OXOBUTAN2YL)CARBAMOYL)PIPERIDIN1YL)4(METHYLSULFANYL)1OXOBUTAN2YL)CARBAMATE
tertbutyl((S)1(4(((S)1((2fluorobenzyl)amino)3methyl1oxobutan2yl)carbamoyl)piperidin1yl)4(methylthio)1oxobutan2yl)carbamate
tertbutylN((2S)1(4(((2S)1((2fluorophenyl)methylamino)3methyl1oxobutan2yl)carbamoyl)piperidin1yl)4methylsulfanyl1oxobutan2yl)carbamate
ZINC000070686521
ZINC70686521

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Available files

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

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