Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Catalog ID
STK564366
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CCC[NH+](C)C)/[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 C24H27N3O6 MW 453.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O6/c1-15-13-17(9-10-19(15)33-4)22(28)20-21(16-7-5-8-18(14-16)27(31)32)26(24(30)23(20)29)12-6-11-25(2)3/h5,7-10,13-14,21,28H,6,11-12H2,1-4H3/b22-20+InChIKey
ZTFJJHYTCQNLQR-LSDHQDQOSA-NSynonyms
(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC(=CC=C3)(N+)(=O)(O))O)OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CCC(NH+)(C)C)(O)
InChI=1SC24H27N3O6c1151317(91019(15)334)22(28)2021(1675818(1416)27(31)32)26(24(30)23(20)29)1261125(2)3h571013142128H61112H214H3b2220+
MFCD18244521
ZINC000102527481
ZINC000102527487
Check stock
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Check stock on Vitas-MAvailable files
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