Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL037785
SMILES C[NH+](CCN1C(c2cccs2)/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C1=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 C21H22N2O5S MW 414.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5S/c1-22(2)7-8-23-18(16-4-3-11-29-16)17(20(25)21(23)26)19(24)13-5-6-14-15(12-13)28-10-9-27-14/h3-6,11-12,18,24H,7-10H2,1-2H3/b19-17+InChIKey
WCNYJIXSGRXONZ-HTXNQAPBSA-NSynonyms
618405-02-0(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(2DIMETHYLAMINOETHYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(2(dimethylammonio)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)METHANOLATE
618405020
C(NH+)(C)CCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)(O))C(=O)C1=O)C4=CC=CS4
C(NH+)(CCN1C(c2cccs2)C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C1=O)C
InChI=1SC21H22N2O5Sc122(2)782318(1643112916)17(20(25)21(23)26)19(24)13561415(1213)281092714h3611121824H710H212H3b1917+
MFCD18247489
ZINC000006412318
ZINC000006412333
Check stock
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