Vitas-M small molecule compound

(E)-[2-(furan-2-yl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(prop-2-en-1-yloxy)phenyl]methanolate

Catalog ID
STK565510
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccco1)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 C24H20N2O5 MW 416.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O5/c1-2-12-30-18-9-7-17(8-10-18)22(27)20-21(19-6-4-13-31-19)26(24(29)23(20)28)15-16-5-3-11-25-14-16/h2-11,13-14,21,27H,1,12,15H2/b22-20+
InChIKey
BTURZNVWDYFANE-LSDHQDQOSA-N
Synonyms
638134-02-8
(4E)5(FURAN2YL)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(4Z)5(FURAN2YL)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(FURAN2YL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4PROP2ENOXYPHENYL)METHANOLATE
(E)(2(furan2yl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
5(2FURYL)3HYDROXY4((4PROP2ENYLOXYPHENYL)CARBONYL)1(3PYRIDYLMETHYL)3PYRROLIN2ONE
638134028
C=CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=CO4)(O)
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccco1)Cc1ccc(nH+)c1)(O)
InChI=1SC24H20N2O5c121230189717(81018)22(27)2021(1964133119)26(24(29)23(20)28)15165311251416h21113142127H11215H2b2220+
MFCD18244809
ZINC000101288197
ZINC000101288201

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Available files

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