Vitas-M small molecule compound

N-{[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbonyl}-L-valyl-L-alanine

Catalog ID
STL532432
SMILES COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)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 C20H27N3O6 MW 405.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O6/c1-11(2)17(19(26)21-12(3)20(27)28)22-18(25)13-9-16(24)23(10-13)14-5-7-15(29-4)8-6-14/h5-8,11-13,17H,9-10H2,1-4H3,(H,21,26)(H,22,25)(H,27,28)/t12-,13?,17-/m0/s1
InChIKey
FGTCRTMXVMETRC-NKGYKZILSA-N
Synonyms
956820-03-4
(2~(S))2(((2~(S))2((1(4methoxyphenyl)5oxopyrrolidine3carbonyl)amino)3methylbutanoyl)amino)propanoicacid
(2S)2((2S)2(1(4methoxyphenyl)5oxopyrrolidine3carboxamido)3methylbutanamido)propanoicacid
16405112
956820034
COc1ccc(cc1)N1CC(CC1=O)C(=O)N(C@H)(C(=O)N(C@H)(C(=O)O)C)C(C)C
InChI=1SC20H27N3O6c111(2)17(19(26)2112(3)20(27)28)2218(25)13916(24)23(1013)145715(294)8614h58111317H910H214H3(H2126)(H2225)(H2728)t1213?17m0s1
MFCD06769069
N((1(4methoxyphenyl)5oxopyrrolidin3yl)carbonyl)LvalylLalanine
ZINC000004088884
ZINC000004088887

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Available files

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