Vitas-M small molecule compound
(E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-3-yl)pyrrolidin-3-ylidene](3-methoxyphenyl)methanolate
Catalog ID
STK559452
SMILES COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)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/c1-30-18-8-2-6-16(11-18)21(27)19-20(17-7-4-10-25-13-17)26(23(29)22(19)28)14-15-5-3-9-24-12-15/h2-13,20,27H,14H2,1H3/b21-19+InChIKey
HXUWKMUSCRSFJL-XUTLUUPISA-NSynonyms
609312-76-7(4E)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)5PYRIDIN3YL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2PYRIDIN3YLPYRROLIDIN3YLIDENE)(3METHOXYPHENYL)METHANOLATE
(E)(45dioxo1(pyridinium3ylmethyl)2(pyridin3yl)pyrrolidin3ylidene)(3methoxyphenyl)methanolate
609312767
COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CN=CC=C4)(O)
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1cccnc1)Cc1ccc(nH+)c1)(O)
InChI=1SC23H19N3O4c1301882616(1118)21(27)1920(177410251317)26(23(29)22(19)28)1415539241215h2132027H14H21H3b2119+
MFCD18243272
ZINC000102487233
ZINC000102487243
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