Vitas-M small molecule compound

N-{[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbonyl}-L-valylproline

Catalog ID
STK616125
SMILES CC([C@@H](C(=O)N1CCCC1C(=O)O)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/c1-12(2)18(20(28)24-9-3-4-16(24)21(29)30)23-19(27)13-10-17(26)25(11-13)15-7-5-14(22)6-8-15/h5-8,12-13,16,18H,3-4,9-11H2,1-2H3,(H,23,27)(H,29,30)/t13?,16?,18-/m0/s1
InChIKey
QXCYWRYXCCFTGD-AUCFXJAVSA-N
Synonyms

1((2S)2((1(4fluorophenyl)5oxopyrrolidine3carbonyl)amino)3methylbutanoyl)pyrrolidine2carboxylicacid
1((2S)2(1(4fluorophenyl)5oxopyrrolidine3carboxamido)3methylbutanoyl)pyrrolidine2carboxylicacid
CC((C@@H)(C(=O)N1CCCC1C(=O)O)NC(=O)C1CC(=O)N(C1)c1ccc(cc1)F)C
CC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)F
InChI=1SC21H26FN3O5c112(2)18(20(28)2493416(24)21(29)30)2319(27)131017(26)25(1113)157514(22)6815h5812131618H34911H212H3(H2327)(H2930)t13?16?18m0s1
MFCD18246330
N((1(4fluorophenyl)5oxopyrrolidin3yl)carbonyl)Lvalylproline
ZINC000005302147
ZINC000005302163

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Available files

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