Vitas-M small molecule compound
(E)-{2-(3,4-dichlorophenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STL057036
SMILES CC[NH+](CCN1C(c2ccc(c(c2)Cl)Cl)/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 C26H30Cl2N2O4 MW 505.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30Cl2N2O4/c1-5-29(6-2)13-14-30-23(18-9-12-20(27)21(28)15-18)22(25(32)26(30)33)24(31)17-7-10-19(11-8-17)34-16(3)4/h7-12,15-16,23,31H,5-6,13-14H2,1-4H3/b24-22+InChIKey
FLARKAAZCBFKGI-ZNTNEXAZSA-NSynonyms
371930-87-9(4E)5(34DICHLOROPHENYL)1(2DIETHYLAMINOETHYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(34dichlorophenyl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(2(34DICHLOROPHENYL)1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
371930879
CC(NH+)(CC)CCN1C(C(=C(C2=CC=C(C=C2)OC(C)C)(O))C(=O)C1=O)C3=CC(=C(C=C3)Cl)Cl
CC(NH+)(CCN1C(c2ccc(c(c2)Cl)Cl)C(=C(c2ccc(cc2)OC(C)C)(O))C(=O)C1=O)CC
InChI=1SC26H30Cl2N2O4c1529(62)13143023(1891220(27)21(28)1518)22(25(32)26(30)33)24(31)1771019(11817)3416(3)4h71215162331H561314H214H3b2422+
MFCD18249786
ZINC000009460778
ZINC000009460779
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.