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Vitas-M small molecule compound

tert-butyl [(2S)-4-methyl-1-(4-{[(2S)-3-methyl-1-oxo-1-{[4-(propan-2-yl)phenyl]amino}butan-2-yl]carbamoyl}piperidin-1-yl)-1-oxopentan-2-yl]carbamate

Catalog ID
STL537464
SMILES CC(C[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)Nc1ccc(cc1)C(C)C)C(C)C)NC(=O)OC(C)(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 C31H50N4O5 MW 558.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H50N4O5/c1-19(2)18-25(33-30(39)40-31(7,8)9)29(38)35-16-14-23(15-17-35)27(36)34-26(21(5)6)28(37)32-24-12-10-22(11-13-24)20(3)4/h10-13,19-21,23,25-26H,14-18H2,1-9H3,(H,32,37)(H,33,39)(H,34,36)/t25-,26-/m0/s1
InChIKey
XTIVRQGIWGMXFO-UIOOFZCWSA-N
Synonyms
956816-66-3
~(tert)butyl~(N)((2~(S))4methyl1(4(((2~(S))3methyl1oxo1(4propan2ylanilino)butan2yl)carbamoyl)piperidin1yl)1oxopentan2yl)carbamate
16399814
956816663
CC(C(C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)Nc1ccc(cc1)C(C)C)C(C)C)NC(=O)OC(C)(C)C)C
InChI=1SC31H50N4O5c119(2)1825(3330(39)4031(78)9)29(38)35161423(151735)27(36)3426(21(5)6)28(37)3224121022(111324)20(3)4h10131921232526H1418H219H3(H3237)(H3339)(H3436)t2526m0s1
tertbutyl((2S)4methyl1(4(((2S)3methyl1oxo1((4(propan2yl)phenyl)amino)butan2yl)carbamoyl)piperidin1yl)1oxopentan2yl)carbamate
tertbutyl((S)1(4(((S)1((4isopropylphenyl)amino)3methyl1oxobutan2yl)carbamoyl)piperidin1yl)4methyl1oxopentan2yl)carbamate
ZINC000070686830
ZINC70686830

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Available files

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

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