Vitas-M small molecule compound

tert-butyl (2S)-2-{[4-({(2S)-1-[(4-fluorophenyl)amino]-1-oxo-3-phenylpropan-2-yl}carbamoyl)piperidin-1-yl]carbonyl}pyrrolidine-1-carboxylate

Catalog ID
STL529470
SMILES Fc1ccc(cc1)NC(=O)[C@@H](NC(=O)C1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)Cc1ccccc1

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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 C31H39FN4O5 MW 566.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39FN4O5/c1-31(2,3)41-30(40)36-17-7-10-26(36)29(39)35-18-15-22(16-19-35)27(37)34-25(20-21-8-5-4-6-9-21)28(38)33-24-13-11-23(32)12-14-24/h4-6,8-9,11-14,22,25-26H,7,10,15-20H2,1-3H3,(H,33,38)(H,34,37)/t25-,26-/m0/s1
InChIKey
FUNQYHSAEJDRBW-UIOOFZCWSA-N
Synonyms
956954-07-7
(S)tertbutyl2(4(((S)1((4fluorophenyl)amino)1oxo3phenylpropan2yl)carbamoyl)piperidine1carbonyl)pyrrolidine1carboxylate
~(tert)butyl(2~(S))2(4(((2~(S))1(4fluoroanilino)1oxo3phenylpropan2yl)carbamoyl)piperidine1carbonyl)pyrrolidine1carboxylate
16404805
956954077
Fc1ccc(cc1)NC(=O)(C@@H)(NC(=O)C1CCN(CC1)C(=O)(C@@H)1CCCN1C(=O)OC(C)(C)C)Cc1ccccc1
InChI=1SC31H39FN4O5c131(23)4130(40)361771026(36)29(39)35181522(161935)27(37)3425(20218546921)28(38)3324131123(32)121424h46891114222526H7101520H213H3(H3338)(H3437)t2526m0s1
tertbutyl(2S)2((4(((2S)1((4fluorophenyl)amino)1oxo3phenylpropan2yl)carbamoyl)piperidin1yl)carbonyl)pyrrolidine1carboxylate
ZINC000070701021
ZINC70701021

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Available files

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