Vitas-M small molecule compound
(E)-(3-chloro-4-methoxyphenyl){1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STL039644
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)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 C26H31ClN2O4 MW 471.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31ClN2O4/c1-16(2)17-7-9-18(10-8-17)23-22(24(30)19-11-12-21(33-5)20(27)15-19)25(31)26(32)29(23)14-6-13-28(3)4/h7-12,15-16,23,30H,6,13-14H2,1-5H3/b24-22+InChIKey
OASFPMJWGDECQX-ZNTNEXAZSA-NSynonyms
636987-33-2(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(1(3(dimethylammonio)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)methanolate
(E)(3CHLORO4METHOXYPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)4((3CHLORO4METHOXYPHENYL)CARBONYL)3HYDROXY5(4(METHYLETHYL)PHENYL)3PYRROLIN2ONE
636987332
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)Cl)(O))C(=O)C(=O)N2CCC(NH+)(C)C
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CCC(NH+)(C)C)(O)
InChI=1SC26H31ClN2O4c116(2)177918(10817)2322(24(30)19111221(335)20(27)1519)25(31)26(32)29(23)1461328(3)4h71215162330H61314H215H3b2422+
MFCD18247867
ZINC000009070761
ZINC000009070766
Check stock
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Check stock on Vitas-MAvailable files
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