Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(pyridin-4-yl)methanolate
Catalog ID
STK566113
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccncc2)\[O-])/C(=O)C(=O)N1CCC[NH+](C)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 C23H25N3O5 MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O5/c1-25(2)13-4-14-26-19(15-5-7-17(8-6-15)23(30)31-3)18(21(28)22(26)29)20(27)16-9-11-24-12-10-16/h5-12,19,27H,4,13-14H2,1-3H3/b20-18+InChIKey
LVDGYIHZPNOLJB-CZIZESTLSA-NSynonyms
627482-45-5(E)(1(3(dimethylammonio)propyl)2(4(methoxycarbonyl)phenyl)45dioxopyrrolidin3ylidene)(pyridin4yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4METHOXYCARBONYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)PYRIDIN4YLMETHANOLATE
627482455
CN(C)CCCN1C(C(=C(C2=CC=NC=C2)O)C(=O)C1=O)C3=CC=C(C=C3)C(=O)OC
COC(=O)c1ccc(cc1)C1C(=C(c2ccncc2)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC23H25N3O5c125(2)134142619(155717(8615)23(30)313)18(21(28)22(26)29)20(27)1691124121016h5121927H41314H213H3b2018+
METHYL4((3E)1(3(DIMETHYLAMINO)PROPYL)3(HYDROXY(PYRIDIN4YL)METHYLIDENE)45DIOXOPYRROLIDIN2YL)BENZOATE
MFCD18244950
ZINC000102539716
ZINC000102539724
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