Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL055643
SMILES CC[NH+](CCCN1C(c2cccs2)/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C1=O)CC
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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 C24H28N2O5S MW 456.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O5S/c1-3-25(4-2)10-6-11-26-21(19-7-5-14-32-19)20(23(28)24(26)29)22(27)16-8-9-17-18(15-16)31-13-12-30-17/h5,7-9,14-15,21,27H,3-4,6,10-13H2,1-2H3/b22-20+InChIKey
HPPDMPQKLBYBSA-LSDHQDQOSA-NSynonyms
(4E)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
CC(NH+)(CCCN1C(c2cccs2)C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C1=O)CC
CCN(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)O)C(=O)C1=O)C4=CC=CS4
InChI=1SC24H28N2O5Sc1325(42)106112621(1975143219)20(23(28)24(26)29)22(27)16891718(1516)3113123017h57914152127H3461013H212H3b2220+
MFCD18249695
ZINC000009437251
ZINC000102895046
Check stock
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Check stock on Vitas-MAvailable files
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