Vitas-M small molecule compound
(E)-[4-(2-methylpropoxy)phenyl][2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL052544
SMILES CC(COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])Cc1ccc[nH+]c1)/[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 C27H25N3O6 MW 487.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O6/c1-17(2)16-36-22-10-8-19(9-11-22)25(31)23-24(20-6-3-7-21(13-20)30(34)35)29(27(33)26(23)32)15-18-5-4-12-28-14-18/h3-14,17,24,31H,15-16H2,1-2H3/b25-23+InChIKey
LIAGXIVRRHQKPK-WJTDDFOZSA-NSynonyms
848764-35-2(4E)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5(3NITROPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4(2METHYLPROPOXY)PHENYL)(2(3NITROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4(2methylpropoxy)phenyl)(2(3nitrophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
848764352
CC(C)COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=CC=C4)(N+)(=O)(O))O
CC(COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))Cc1ccc(nH+)c1)(O))C
InChI=1SC27H25N3O6c117(2)16362210819(91122)25(31)2324(2063721(1320)30(34)35)29(27(33)26(23)32)15185412281418h314172431H1516H212H3b2523+
MFCD18249471
ZINC000101864245
ZINC000101864250
Check stock
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Check stock on Vitas-MAvailable files
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