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Vitas-M small molecule compound

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

Catalog ID
STL004500
SMILES CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)Nc1ccc(cc1)C)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 C28H44N4O5S MW 548.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H44N4O5S/c1-18(2)23(25(34)29-21-10-8-19(3)9-11-21)31-24(33)20-12-15-32(16-13-20)26(35)22(14-17-38-7)30-27(36)37-28(4,5)6/h8-11,18,20,22-23H,12-17H2,1-7H3,(H,29,34)(H,30,36)(H,31,33)/t22-,23-/m0/s1
InChIKey
TVYZPYLQDLTYIJ-GOTSBHOMSA-N
Synonyms
1173668-04-6
1173668046
CC1=CC=C(C=C1)NC(=O)C(C(C)C)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)Nc1ccc(cc1)C)C(C)C)NC(=O)OC(C)(C)C
InChI=1SC28H44N4O5Sc118(2)23(25(34)292110819(3)91121)3124(33)20121532(161320)26(35)22(1417387)3027(36)3728(45)6h81118202223H1217H217H3(H2934)(H3036)(H3133)t2223m0s1
MFCD04146462
TERTBUTYL((2S)1(4(((2S)3METHYL1((4METHYLPHENYL)AMINO)1OXOBUTAN2YL)CARBAMOYL)PIPERIDIN1YL)4(METHYLSULFANYL)1OXOBUTAN2YL)CARBAMATE
tertbutyl((S)1(4(((S)3methyl1oxo1(ptolylamino)butan2yl)carbamoyl)piperidin1yl)4(methylthio)1oxobutan2yl)carbamate
tertbutylN((2S)1(4(((2S)3methyl1(4methylanilino)1oxobutan2yl)carbamoyl)piperidin1yl)4methylsulfanyl1oxobutan2yl)carbamate
ZINC000070686895
ZINC70686895

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Available files

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