Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){1-[2-(dimethylammonio)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL148193
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CC[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 C26H31N3O6 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O6/c1-5-6-14-35-21-11-10-19(15-17(21)2)24(30)22-23(18-8-7-9-20(16-18)29(33)34)28(13-12-27(3)4)26(32)25(22)31/h7-11,15-16,23,30H,5-6,12-14H2,1-4H3/b24-22+InChIKey
UMRZHYZVPUFBNC-ZNTNEXAZSA-NSynonyms
489402-67-7(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(1(2(dimethylammonio)ethyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
489402677
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC(=CC=C3)(N+)(=O)(O))(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))CC(NH+)(C)C)(O)
InChI=1SC26H31N3O6c156143521111019(1517(21)2)24(30)2223(1887920(1618)29(33)34)28(131227(3)4)26(32)25(22)31h71115162330H561214H214H3b2422+
MFCD20755345
ZINC000102926206
ZINC000102926208
Check stock
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Check stock on Vitas-MAvailable files
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