Vitas-M small molecule compound
(E)-[4-(benzyloxy)-2-methylphenyl][2-(4-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL150769
SMILES Cc1cc(OCc2ccccc2)ccc1/C(=C\1/C(c2ccc(cc2)[N+](=O)[O-])N(C(=O)C1=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 C31H25N3O6 MW 535.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N3O6/c1-20-16-25(40-19-21-6-3-2-4-7-21)13-14-26(20)29(35)27-28(23-9-11-24(12-10-23)34(38)39)33(31(37)30(27)36)18-22-8-5-15-32-17-22/h2-17,28,35H,18-19H2,1H3/b29-27+InChIKey
LEGBTGMNUAYRPF-ORIPQNMZSA-NSynonyms
497243-90-0(4E)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)5(4NITROPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2METHYL4PHENYLMETHOXYPHENYL)(2(4NITROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(2(4nitrophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
497243900
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=C(C=C5)(N+)(=O)(O))O
Cc1cc(OCc2ccccc2)ccc1C(=C1C(c2ccc(cc2)(N+)(=O)(O))N(C(=O)C1=O)Cc1ccc(nH+)c1)(O)
InChI=1SC31H25N3O6c1201625(4019216324721)131426(20)29(35)2728(2391124(121023)34(38)39)33(31(37)30(27)36)18228515321722h2172835H1819H21H3b2927+
MFCD20755900
ZINC000102931673
ZINC000102931675
Check stock
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Check stock on Vitas-MAvailable files
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