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Vitas-M small molecule compound

tert-butyl [(2S)-4-(methylsulfanyl)-1-oxo-1-(4-{[(2S)-1-oxo-1-{[4-(propan-2-yl)phenyl]amino}propan-2-yl]carbamoyl}piperidin-1-yl)butan-2-yl]carbamate

Catalog ID
STL003519
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)20-8-10-22(11-9-20)30-24(33)19(3)29-25(34)21-12-15-32(16-13-21)26(35)23(14-17-38-7)31-27(36)37-28(4,5)6/h8-11,18-19,21,23H,12-17H2,1-7H3,(H,29,34)(H,30,33)(H,31,36)/t19-,23-/m0/s1
InChIKey
ZVMFOKQRNRXYCW-CVDCTZTESA-N
Synonyms
956944-45-9
956944459
CC(C)C1=CC=C(C=C1)NC(=O)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)2081022(11920)3024(33)19(3)2925(34)21121532(161321)26(35)23(1417387)3127(36)3728(45)6h81118192123H1217H217H3(H2934)(H3033)(H3136)t1923m0s1
MFCD04143840
TERTBUTYL((2S)4(METHYLSULFANYL)1OXO1(4(((2S)1OXO1((4(PROPAN2YL)PHENYL)AMINO)PROPAN2YL)CARBAMOYL)PIPERIDIN1YL)BUTAN2YL)CARBAMATE
tertbutyl((S)1(4(((S)1((4isopropylphenyl)amino)1oxopropan2yl)carbamoyl)piperidin1yl)4(methylthio)1oxobutan2yl)carbamate
tertbutylN((2S)4methylsulfanyl1oxo1(4(((2S)1oxo1(4propan2ylanilino)propan2yl)carbamoyl)piperidin1yl)butan2yl)carbamate
ZINC000070686450
ZINC70686450

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Available files

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