Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL147751
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CCC[NH+](CC)CC)/[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 C25H30ClN3O4 MW 471.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30ClN3O4/c1-4-28(5-2)13-8-14-29-22(18-9-7-12-27-16-18)21(24(31)25(29)32)23(30)17-10-11-20(33-6-3)19(26)15-17/h7,9-12,15-16,22,30H,4-6,8,13-14H2,1-3H3/b23-21+InChIKey
BSMGNQDCTLSGLF-XTQSDGFTSA-NSynonyms
636988-69-7(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIETHYLAMINO)PROPYL)5PYRIDIN3YLPYRROLIDINE23DIONE
(4Z)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIETHYLAMINO)PROPYL)5PYRIDIN3YLPYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(1(3(diethylammonio)propyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)methanolate
(E)(3CHLORO4ETHOXYPHENYL)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)METHANOLATE
1(3(DIETHYLAMINO)PROPYL)4((3CHLORO4ETHOXYPHENYL)CARBONYL)3HYDROXY5(3PYRIDYL)3PYRROLIN2ONE
636988697
CC(NH+)(CC)CCCN1C(C(=C(C2=CC(=C(C=C2)OCC)Cl)(O))C(=O)C1=O)C3=CN=CC=C3
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1cccnc1)CCC(NH+)(CC)CC)(O)
InChI=1SC25H30ClN3O4c1428(52)138142922(189712271618)21(24(31)25(29)32)23(30)17101120(3363)19(26)1517h791215162230H4681314H213H3b2321+
MFCD20755254
ZINC000009067377
ZINC000009067382
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