Vitas-M small molecule compound

(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]pyrrolidin-3-ylidene}(thiophen-2-yl)methanolate

Catalog ID
STL044050
SMILES CC(Oc1ccc(cc1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1CC[NH+](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 C22H26N2O4S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O4S/c1-14(2)28-16-9-7-15(8-10-16)19-18(20(25)17-6-5-13-29-17)21(26)22(27)24(19)12-11-23(3)4/h5-10,13-14,19,25H,11-12H2,1-4H3/b20-18+
InChIKey
UKPBGRTUXLCSSS-CZIZESTLSA-N
Synonyms

CC(Oc1ccc(cc1)C1C(=C(c2cccs2)(O))C(=O)C(=O)N1CC(NH+)(C)C)C
MFCD18248339
ZINC000006781939
ZINC000006781950

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Available files

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