Vitas-M small molecule compound
(E)-{2-(3,4-dichlorophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL042281
SMILES CC(COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)CCC[NH+](C)C)/[O-])C
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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 C26H30Cl2N2O4 MW 505.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30Cl2N2O4/c1-16(2)15-34-19-9-6-17(7-10-19)24(31)22-23(18-8-11-20(27)21(28)14-18)30(26(33)25(22)32)13-5-12-29(3)4/h6-11,14,16,23,31H,5,12-13,15H2,1-4H3/b24-22+InChIKey
WFWHPHATXCOFMM-ZNTNEXAZSA-NSynonyms
848211-63-2(4E)5(34DICHLOROPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(34dichlorophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
(E)(2(34DICHLOROPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4(2METHYLPROPOXY)PHENYL)METHANOLATE
848211632
CC(C)COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC(=C(C=C3)Cl)Cl)O
CC(COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)CCC(NH+)(C)C)(O))C
InChI=1SC26H30Cl2N2O4c116(2)1534199617(71019)24(31)2223(1881120(27)21(28)1418)30(26(33)25(22)32)1351229(3)4h61114162331H5121315H214H3b2422+
MFCD18248151
ZINC000102169723
ZINC000102169728
Check stock
See real-time availability and sample size for STL042281 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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