Vitas-M small molecule compound

methyl 1-(N-{[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbonyl}-L-alanyl)piperidine-4-carboxylate

Catalog ID
STK600687
SMILES COC(=O)C1CCN(CC1)C(=O)[C@@H](NC(=O)C1CC(=O)N(C1)c1ccc(cc1)F)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 C21H26FN3O5 MW 419.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26FN3O5/c1-13(20(28)24-9-7-14(8-10-24)21(29)30-2)23-19(27)15-11-18(26)25(12-15)17-5-3-16(22)4-6-17/h3-6,13-15H,7-12H2,1-2H3,(H,23,27)/t13-,15?/m0/s1
InChIKey
RJEYANHLWCJWCS-CFMCSPIPSA-N
Synonyms
1212486-00-4
1212486004
CC(C(=O)N1CCC(CC1)C(=O)OC)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F
COC(=O)C1CCN(CC1)C(=O)(C@@H)(NC(=O)C1CC(=O)N(C1)c1ccc(cc1)F)C
InChI=1SC21H26FN3O5c113(20(28)249714(81024)21(29)302)2319(27)151118(26)25(1215)175316(22)4617h361315H712H212H3(H2327)t1315?m0s1
methyl1((2S)2((1(4fluorophenyl)5oxopyrrolidine3carbonyl)amino)propanoyl)piperidine4carboxylate
methyl1((2S)2(1(4fluorophenyl)5oxopyrrolidine3carboxamido)propanoyl)piperidine4carboxylate
methyl1(N((1(4fluorophenyl)5oxopyrrolidin3yl)carbonyl)Lalanyl)piperidine4carboxylate
MFCD18246138
ZINC000006659159
ZINC000006659166

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Available files

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