Vitas-M small molecule compound

(2R)-{[(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-methylpentanoyl]amino}(phenyl)ethanoic acid

Catalog ID
STK590594
SMILES CC(C[C@H](n1c(=O)[nH]c2c(c1=O)cccc2)C(=O)N[C@H](c1ccccc1)C(=O)O)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 C22H23N3O5 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5/c1-13(2)12-17(19(26)24-18(21(28)29)14-8-4-3-5-9-14)25-20(27)15-10-6-7-11-16(15)23-22(25)30/h3-11,13,17-18H,12H2,1-2H3,(H,23,30)(H,24,26)(H,28,29)/t17-,18+/m0/s1
InChIKey
XPPBICLZFAQMDF-ZWKOTPCHSA-N
Synonyms
1013785-35-7
(2R)(((2S)2(24dioxo14dihydroquinazolin3(2H)yl)4methylpentanoyl)amino)(phenyl)ethanoicacid
(2R)2(((2S)2(24DIOXO1HQUINAZOLIN3YL)4METHYLPENTANOYL)AMINO)2PHENYLACETICACID
(R)2((S)2(24dioxo12dihydroquinazolin3(4H)yl)4methylpentanamido)2phenylaceticacid
1013785357
CC(C(C@H)(n1c(=O)(nH)c2c(c1=O)cccc2)C(=O)N(C@H)(c1ccccc1)C(=O)O)C
CC(C)CC(C(=O)NC(C1=CC=CC=C1)C(=O)O)N2C(=O)C3=CC=CC=C3NC2=O
InChI=1SC22H23N3O5c113(2)1217(19(26)2418(21(28)29)148435914)2520(27)1510671116(15)2322(25)30h311131718H12H212H3(H2330)(H2426)(H2829)t1718+m0s1
MFCD07638473
ZINC000008994686
ZINC8994686

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Available files

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