Vitas-M small molecule compound
(E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(thiophen-2-yl)pyrrolidin-3-ylidene](4-methoxy-3-methylphenyl)methanolate
Catalog ID
STK561763
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)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 C23H20N2O4S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O4S/c1-14-11-16(7-8-17(14)29-2)21(26)19-20(18-6-4-10-30-18)25(23(28)22(19)27)13-15-5-3-9-24-12-15/h3-12,20,26H,13H2,1-2H3/b21-19+InChIKey
WXHJVDIPDKNOJO-XUTLUUPISA-NSynonyms
460046-27-9(4E)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2THIOPHEN2YLPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
(E)(45dioxo1(pyridinium3ylmethyl)2(thiophen2yl)pyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
460046279
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=CS4)(O))OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccs1)Cc1ccc(nH+)c1)(O)
InChI=1SC23H20N2O4Sc1141116(7817(14)292)21(26)1920(1864103018)25(23(28)22(19)27)1315539241215h3122026H13H212H3b2119+
MFCD18243881
ZINC000102506811
ZINC000102506819
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