Vitas-M small molecule compound

(E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene](4-methoxy-2-methylphenyl)methanolate

Catalog ID
STK565976
SMILES COc1ccc(c(c1)C)/C(=C\1/C(c2cc(OC)c(c(c2)OC)OC)N(C(=O)C1=O)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 C28H28N2O7 MW 504.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O7/c1-16-11-19(34-2)8-9-20(16)25(31)23-24(18-12-21(35-3)27(37-5)22(13-18)36-4)30(28(33)26(23)32)15-17-7-6-10-29-14-17/h6-14,24,31H,15H2,1-5H3/b25-23+
InChIKey
XDQMFLYIGMCBLW-WJTDDFOZSA-N
Synonyms
385417-05-0
(4E)4(HYDROXY(4METHOXY2METHYLPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(45DIOXO1(PYRIDIN1IUM3YLMETHYL)2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
(E)(45dioxo1(pyridinium3ylmethyl)2(345trimethoxyphenyl)pyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
385417050
CC1=C(C=CC(=C1)OC)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)O
COc1ccc(c(c1)C)C(=C1C(c2cc(OC)c(c(c2)OC)OC)N(C(=O)C1=O)Cc1ccc(nH+)c1)(O)
InChI=1SC28H28N2O7c1161119(342)8920(16)25(31)2324(181221(353)27(375)22(1318)364)30(28(33)26(23)32)15177610291417h6142431H15H215H3b2523+
MFCD18244912
ZINC000102538637
ZINC000102538644

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Available files

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