Vitas-M small molecule compound
(E)-{2-(3,4-dichlorophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(pyridin-4-yl)methanolate
Catalog ID
STL150116
SMILES C[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccncc2)/[O-])/C1c1ccc(c(c1)Cl)Cl)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 C21H21Cl2N3O3 MW 434.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2N3O3/c1-25(2)10-3-11-26-18(14-4-5-15(22)16(23)12-14)17(20(28)21(26)29)19(27)13-6-8-24-9-7-13/h4-9,12,18,27H,3,10-11H2,1-2H3/b19-17+InChIKey
ADVULEBIQBJQCD-HTXNQAPBSA-NSynonyms
627475-52-9(4E)5(34DICHLOROPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(PYRIDIN4YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(34dichlorophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(pyridin4yl)methanolate
(E)(2(34DICHLOROPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)PYRIDIN4YLMETHANOLATE
5(34DICHLOROPHENYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY4(4PYRIDYLCARBONYL)3PYRROLIN2ONE
627475529
C(NH+)(C)CCCN1C(C(=C(C2=CC=NC=C2)(O))C(=O)C1=O)C3=CC(=C(C=C3)Cl)Cl
C(NH+)(CCCN1C(=O)C(=O)C(=C(c2ccncc2)(O))C1c1ccc(c(c1)Cl)Cl)C
InChI=1SC21H21Cl2N3O3c125(2)103112618(144515(22)16(23)1214)17(20(28)21(26)29)19(27)1368249713h49121827H31011H212H3b1917+
MFCD20755750
ZINC000009122904
ZINC000009122908
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.