Vitas-M small molecule compound
(E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STL150251
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CCC[NH+]1CCOCC1)/[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 C27H31N3O7 MW 509.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O7/c1-2-15-37-22-9-7-19(8-10-22)25(31)23-24(20-5-3-6-21(18-20)30(34)35)29(27(33)26(23)32)12-4-11-28-13-16-36-17-14-28/h3,5-10,18,24,31H,2,4,11-17H2,1H3/b25-23+InChIKey
HRRHUVAXCPENJA-WJTDDFOZSA-NSynonyms
638135-45-2(4E)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(3(morpholin4ium4yl)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(1(3MORPHOLIN4IUM4YLPROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
3HYDROXY1(3MORPHOLIN4YLPROPYL)5(3NITROPHENYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
638135452
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC(=CC=C4)(N+)(=O)(O))O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CCC(NH+)1CCOCC1)(O)
InChI=1SC27H31N3O7c121537229719(81022)25(31)2324(2053621(1820)30(34)35)29(27(33)26(23)32)1241128131636171428h3510182431H241117H21H3b2523+
MFCD20755781
ZINC000102931179
ZINC000102931182
Check stock
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Check stock on Vitas-MAvailable files
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