Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl][2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL150317
SMILES Cc1cc(ccc1OCc1ccccc1)/C(=C\1/C(c2cccc(c2)[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/c1-20-15-24(12-13-26(20)40-19-21-7-3-2-4-8-21)29(35)27-28(23-10-5-11-25(16-23)34(38)39)33(31(37)30(27)36)18-22-9-6-14-32-17-22/h2-17,28,35H,18-19H2,1H3/b29-27+InChIKey
IXGGMNSINWRXPR-ORIPQNMZSA-NSynonyms
497864-23-0(4E)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)5(3NITROPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(3METHYL4PHENYLMETHOXYPHENYL)(2(3NITROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(2(3nitrophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
497864230
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=CC=C4)(N+)(=O)(O))O)OCC5=CC=CC=C5
Cc1cc(ccc1OCc1ccccc1)C(=C1C(c2cccc(c2)(N+)(=O)(O))N(C(=O)C1=O)Cc1ccc(nH+)c1)(O)
InChI=1SC31H25N3O6c1201524(121326(20)4019217324821)29(35)2728(231051125(1623)34(38)39)33(31(37)30(27)36)18229614321722h2172835H1819H21H3b2927+
MFCD20755800
ZINC000102930180
ZINC000102930183
Check stock
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Check stock on Vitas-MAvailable files
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