Vitas-M small molecule compound
(E)-(4-methoxy-3-methylphenyl)[2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL148923
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])Cc1ccc[nH+]c1)/[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 C25H21N3O6 MW 459.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O6/c1-15-11-18(8-9-20(15)34-2)23(29)21-22(17-6-3-7-19(12-17)28(32)33)27(25(31)24(21)30)14-16-5-4-10-26-13-16/h3-13,22,29H,14H2,1-2H3/b23-21+InChIKey
ZUCYJXURIUTWGU-XTQSDGFTSA-NSynonyms
433261-84-8(4E)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)5(3NITROPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4METHOXY3METHYLPHENYL)(2(3NITROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4methoxy3methylphenyl)(2(3nitrophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
433261848
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=CC=C4)(N+)(=O)(O))(O))OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))Cc1ccc(nH+)c1)(O)
InChI=1SC25H21N3O6c1151118(8920(15)342)23(29)2122(1763719(1217)28(32)33)27(25(31)24(21)30)14165410261316h3132229H14H212H3b2321+
MFCD20755501
ZINC000102931843
ZINC000102931846
Check stock
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Check stock on Vitas-MAvailable files
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