Vitas-M small molecule compound

(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate

Catalog ID
STL037206
SMILES C[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C1c1cccs1)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 C22H24N2O5S MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O5S/c1-23(2)8-4-9-24-19(17-5-3-12-30-17)18(21(26)22(24)27)20(25)14-6-7-15-16(13-14)29-11-10-28-15/h3,5-7,12-13,19,25H,4,8-11H2,1-2H3/b20-18+
InChIKey
KVQUHOAYHZDURR-CZIZESTLSA-N
Synonyms

(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(4Z)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(3(dimethylammonio)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)METHANOLATE
4(2H3HBENZO(34E)14DIOXAN6YLCARBONYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(2THIENYL)3PYRROLIN2ONE
C(NH+)(C)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)(O))C(=O)C1=O)C4=CC=CS4
C(NH+)(CCCN1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)(O))C1c1cccs1)C
InChI=1SC22H24N2O5Sc123(2)8492419(1753123017)18(21(26)22(24)27)20(25)14671516(1314)2911102815h35712131925H4811H212H3b2018+
MFCD18247382
ZINC000009374217
ZINC000009374219

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Available files

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