Vitas-M small molecule compound
(E)-{4-[(3-methylbenzyl)oxy]phenyl}[2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK591551
SMILES Cc1cccc(c1)COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])Cc1cc[nH+]cc1)/[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/c1-20-4-2-5-22(16-20)19-40-26-10-8-23(9-11-26)29(35)27-28(24-6-3-7-25(17-24)34(38)39)33(31(37)30(27)36)18-21-12-14-32-15-13-21/h2-17,28,35H,18-19H2,1H3/b29-27+InChIKey
QCMMDOSYTRQXQC-ORIPQNMZSA-NSynonyms
836639-28-2(4E)4(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)5(3NITROPHENYL)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(4((3methylbenzyl)oxy)phenyl)(2(3nitrophenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)methanolate
(E)(4((3methylphenyl)methoxy)phenyl)(2(3nitrophenyl)45dioxo1(pyridin1ium4ylmethyl)pyrrolidin3ylidene)methanolate
836639282
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=(NH+)C=C4)C5=CC(=CC=C5)(N+)(=O)(O))(O)
Cc1cccc(c1)COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))Cc1cc(nH+)cc1)(O)
InChI=1SC31H25N3O6c12042522(1620)19402610823(91126)29(35)2728(2463725(1724)34(38)39)33(31(37)30(27)36)1821121432151321h2172835H1819H21H3b2927+
MFCD07212579
ZINC000102608944
ZINC000102608950
Check stock
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Check stock on Vitas-MAvailable files
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