Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){1-[3-(dimethylammonio)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK566552
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[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 C27H33N3O6 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O6/c1-5-6-16-36-22-13-10-20(17-18(22)2)25(31)23-24(19-8-11-21(12-9-19)30(34)35)29(27(33)26(23)32)15-7-14-28(3)4/h8-13,17,24,31H,5-7,14-16H2,1-4H3/b25-23+InChIKey
PIWHUXFQWJXZQN-WJTDDFOZSA-NSynonyms
500267-92-5(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5(4NITROPHENYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(1(3(dimethylammonio)propyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
500267925
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)(N+)(=O)(O))O)C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)(N+)(=O)(O))CCC(NH+)(C)C)(O)
InChI=1SC27H33N3O6c156163622131020(1718(22)2)25(31)2324(1981121(12919)30(34)35)29(27(33)26(23)32)1571428(3)4h813172431H571416H214H3b2523+
MFCD18245057
ZINC000102542530
ZINC000102542534
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.