Vitas-M small molecule compound

(E)-[2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](phenyl)methanolate

Catalog ID
STK559647
SMILES COc1cc(ccc1O)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

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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/c1-31-19-12-17(9-10-18(19)27)21-20(22(28)16-7-3-2-4-8-16)23(29)24(30)26(21)14-15-6-5-11-25-13-15/h2-13,21,27-28H,14H2,1H3/b22-20+
InChIKey
OEPUCPHSFPIMBQ-LSDHQDQOSA-N
Synonyms
337922-96-0
(4E)5(4HYDROXY3METHOXYPHENYL)4(HYDROXY(PHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4HYDROXY3METHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
(E)(2(4hydroxy3methoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(phenyl)methanolate
337922960
COC1=C(C=CC(=C1)C2C(=C(C3=CC=CC=C3)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4)O
COc1cc(ccc1O)C1C(=C(c2ccccc2)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC24H20N2O5c131191217(91018(19)27)2120(22(28)167324816)23(29)24(30)26(21)14156511251315h213212728H14H21H3b2220+
MFCD18243324
ZINC000102488987
ZINC000102488996

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Available files

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