Vitas-M small molecule compound
(E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-3-yl)pyrrolidin-3-ylidene](phenyl)methanolate
Catalog ID
STL047756
SMILES [O-]/C(=C\1/C(=O)C(=O)N(C1c1cccnc1)Cc1ccc[nH+]c1)/c1ccccc1
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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 C22H17N3O3 MW 371.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O3/c26-20(16-7-2-1-3-8-16)18-19(17-9-5-11-24-13-17)25(22(28)21(18)27)14-15-6-4-10-23-12-15/h1-13,19,26H,14H2/b20-18+InChIKey
VGWZGSIUMOVZCO-CZIZESTLSA-NSynonyms
(4E)4(HYDROXY(PHENYL)METHYLIDENE)5PYRIDIN3YL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2PYRIDIN3YLPYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
(E)(45dioxo1(pyridinium3ylmethyl)2(pyridin3yl)pyrrolidin3ylidene)(phenyl)methanolate
(O)C(=C1C(=O)C(=O)N(C1c1cccnc1)Cc1ccc(nH+)c1)c1ccccc1
C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CN=CC=C4)(O)
InChI=1SC22H17N3O3c2620(167213816)1819(179511241317)25(22(28)21(18)27)14156410231215h1131926H14H2b2018+
MFCD18249128
ZINC000102883846
ZINC000102883848
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