Vitas-M small molecule compound
(E)-[4-(2-methylpropoxy)phenyl]{1-[2-(morpholin-4-ium-4-yl)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL050526
SMILES CC(COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CC[NH+]1CCOCC1)/[O-])C
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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/c1-18(2)17-37-22-8-6-19(7-9-22)25(31)23-24(20-4-3-5-21(16-20)30(34)35)29(27(33)26(23)32)11-10-28-12-14-36-15-13-28/h3-9,16,18,24,31H,10-15,17H2,1-2H3/b25-23+InChIKey
GWMQVPAKOKSDJS-WJTDDFOZSA-NSynonyms
847856-45-5(4E)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(4(2methylpropoxy)phenyl)(1(2(morpholin4ium4yl)ethyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4(2METHYLPROPOXY)PHENYL)(1(2MORPHOLIN4IUM4YLETHYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
847856455
CC(C)COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC(=CC=C4)(N+)(=O)(O))O
CC(COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CC(NH+)1CCOCC1)(O))C
InChI=1SC27H31N3O7c118(2)1737228619(7922)25(31)2324(2043521(1620)30(34)35)29(27(33)26(23)32)111028121436151328h3916182431H101517H212H3b2523+
MFCD18249337
ZINC000101864284
ZINC000101864286
Check stock
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Check stock on Vitas-MAvailable files
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