Vitas-M small molecule compound
(E)-{1-[2-(morpholin-4-ium-4-yl)ethyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Catalog ID
STK564167
SMILES [O-]/C(=C\1/C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CC[NH+]1CCOCC1)/c1cccs1
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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 C21H21N3O6S MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O6S/c25-19(16-2-1-13-31-16)17-18(14-3-5-15(6-4-14)24(28)29)23(21(27)20(17)26)8-7-22-9-11-30-12-10-22/h1-6,13,18,25H,7-12H2/b19-17+InChIKey
IQNFDILSXQNFSS-HTXNQAPBSA-NSynonyms
(E)(1(2(morpholin4ium4yl)ethyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)(thiophen2yl)methanolate
(O)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))CC(NH+)1CCOCC1)c1cccs1
MFCD18244478
ZINC000102526260
ZINC000102526267
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