Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Catalog ID
STK566105
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2sc(nc2C)C)/[O-])/C1c1cccc(c1)[N+](=O)[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 C22H26N4O5S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O5S/c1-5-24(6-2)10-11-25-18(15-8-7-9-16(12-15)26(30)31)17(20(28)22(25)29)19(27)21-13(3)23-14(4)32-21/h7-9,12,18,27H,5-6,10-11H2,1-4H3/b19-17+InChIKey
XWWALGNXODBGDY-HTXNQAPBSA-NSynonyms
(E)(1(2(diethylammonio)ethyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(24dimethyl13thiazol5yl)methanolate
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2sc(nc2C)C)(O))C1c1cccc(c1)(N+)(=O)(O))CC
MFCD18244949
ZINC000009177931
ZINC000009177935
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