Vitas-M small molecule compound
(E)-{1-(3-carboxypropyl)-2-[4-(dimethylammonio)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Catalog ID
STK560478
SMILES OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/[O-])/C1c1ccc(cc1)[NH+](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 C24H26N2O5 MW 422.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O5/c1-15-6-8-17(9-7-15)22(29)20-21(16-10-12-18(13-11-16)25(2)3)26(24(31)23(20)30)14-4-5-19(27)28/h6-13,21,29H,4-5,14H2,1-3H3,(H,27,28)/b22-20+InChIKey
KGQHIWYQRKGKIY-LSDHQDQOSA-NSynonyms
425394-99-6(E)(1(3carboxypropyl)2(4(dimethylammonio)phenyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
(E)(2(4(DIMETHYLAZANIUMYL)PHENYL)1(4HYDROXY4OXOBUTYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHYLPHENYL)METHANOLATE
4((3E)2(4(dimethylamino)phenyl)3(hydroxy(4methylphenyl)methylidene)45dioxopyrrolidin1yl)butanoicacid
4((3E)2(4DIMETHYLAMINOPHENYL)3(HYDROXY(4METHYLPHENYL)METHYLIDENE)45DIOXOPYRROLIDIN1YL)BUTANOICACID
425394996
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCC(=O)O)C3=CC=C(C=C3)N(C)C)O
InChI=1SC24H26N2O5c1156817(9715)22(29)2021(16101218(131116)25(2)3)26(24(31)23(20)30)144519(27)28h6132129H4514H213H3(H2728)b2220+
MFCD18243547
OC(=O)CCCN1C(=O)C(=O)C(=C(c2ccc(cc2)C)(O))C1c1ccc(cc1)(NH+)(C)C
ZINC000102496337
ZINC000102496344
Check stock
See real-time availability and sample size for STK560478 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.