Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STL054732
SMILES CC[NH+](CCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C1=O)CC
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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/c1-5-27(6-2)14-15-28-23(19-8-7-9-20(16-19)29(33)34)22(25(31)26(28)32)24(30)18-10-12-21(13-11-18)35-17(3)4/h7-13,16-17,23,30H,5-6,14-15H2,1-4H3/b24-22+InChIKey
MTWAPDUKJQTBSZ-ZNTNEXAZSA-NSynonyms
847338-22-1(4E)1(2DIETHYLAMINOETHYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
847338221
CC(NH+)(CC)CCN1C(C(=C(C2=CC=C(C=C2)OC(C)C)(O))C(=O)C1=O)C3=CC(=CC=C3)(N+)(=O)(O)
CC(NH+)(CCN1C(c2cccc(c2)(N+)(=O)(O))C(=C(c2ccc(cc2)OC(C)C)(O))C(=O)C1=O)CC
InChI=1SC26H31N3O6c1527(62)14152823(1987920(1619)29(33)34)22(25(31)26(28)32)24(30)18101221(131118)3517(3)4h71316172330H561415H214H3b2422+
MFCD18249627
ZINC000009350244
ZINC000009350245
Check stock
See real-time availability and sample size for STL054732 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.