Vitas-M small molecule compound
(E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Catalog ID
STL040439
SMILES O=C1C(=O)/C(=C(\c2cccs2)/[O-])/C(N1CCC[NH+]1CCOCC1)c1cccc(c1)[N+](=O)[O-]
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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 C22H23N3O6S MW 457.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O6S/c26-20(17-6-2-13-32-17)18-19(15-4-1-5-16(14-15)25(29)30)24(22(28)21(18)27)8-3-7-23-9-11-31-12-10-23/h1-2,4-6,13-14,19,26H,3,7-12H2/b20-18+InChIKey
QGOMBAZVQHYDPP-CZIZESTLSA-NSynonyms
(E)(1(3(morpholin4ium4yl)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(thiophen2yl)methanolate
MFCD18248035
O=C1C(=O)C(=C(c2cccs2)(O))C(N1CCC(NH+)1CCOCC1)c1cccc(c1)(N+)(=O)(O)
ZINC000102866598
ZINC000102866601
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