Vitas-M small molecule compound

N-(4-carboxy-4-hydroxybutanoyl)-S-(6-ethoxy-2-methylquinolin-4-yl)cysteinylglycine

Catalog ID
STK622718
SMILES CCOc1ccc2c(c1)c(SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)O)cc(n2)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 C22H27N3O8S MW 493.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O8S/c1-3-33-13-4-5-15-14(9-13)18(8-12(2)24-15)34-11-16(21(30)23-10-20(28)29)25-19(27)7-6-17(26)22(31)32/h4-5,8-9,16-17,26H,3,6-7,10-11H2,1-2H3,(H,23,30)(H,25,27)(H,28,29)(H,31,32)
InChIKey
XEYYOLYMCVAVFM-UHFFFAOYSA-N
Synonyms

5((1((carboxymethyl)amino)3((6ethoxy2methylquinolin4yl)thio)1oxopropan2yl)amino)2hydroxy5oxopentanoicacid
5((1(carboxymethylamino)3(6ethoxy2methylquinolin4yl)sulfanyl1oxopropan2yl)amino)2hydroxy5oxopentanoicacid
CCOC1=CC2=C(C=C1)N=C(C=C2SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)O)C
InChI=1SC22H27N3O8Sc133313451514(913)18(812(2)2415)341116(21(30)231020(28)29)2519(27)7617(26)22(31)32h4589161726H3671011H212H3(H2330)(H2527)(H2829)(H3132)
MFCD08749353
N(4carboxy4hydroxybutanoyl)S(6ethoxy2methylquinolin4yl)cysteinylglycine
ZINC000009344575
ZINC000009344581

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Available files

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