Vitas-M small molecule compound
(E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-4-yl)pyrrolidin-3-ylidene](3-methoxyphenyl)methanolate
Catalog ID
STK566003
SMILES COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)Cc1ccc[nH+]c1)/[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 C23H19N3O4 MW 401.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O4/c1-30-18-6-2-5-17(12-18)21(27)19-20(16-7-10-24-11-8-16)26(23(29)22(19)28)14-15-4-3-9-25-13-15/h2-13,20,27H,14H2,1H3/b21-19+InChIKey
FXDZXAXRWZOJOA-XUTLUUPISA-NSynonyms
609312-75-6(4E)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)5PYRIDIN4YL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2PYRIDIN4YLPYRROLIDIN3YLIDENE)(3METHOXYPHENYL)METHANOLATE
(E)(45dioxo1(pyridinium3ylmethyl)2(pyridin4yl)pyrrolidin3ylidene)(3methoxyphenyl)methanolate
609312756
COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=NC=C4)(O)
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1ccncc1)Cc1ccc(nH+)c1)(O)
InChI=1SC23H19N3O4c1301862517(1218)21(27)1920(167102411816)26(23(29)22(19)28)1415439251315h2132027H14H21H3b2119+
MFCD18244917
ZINC000102538791
ZINC000102538799
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