Vitas-M small molecule compound
(E)-(4-chlorophenyl)[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK562269
SMILES COc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)Cl)\[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 C25H21ClN2O5 MW 464.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O5/c1-32-19-10-7-17(12-20(19)33-2)22-21(23(29)16-5-8-18(26)9-6-16)24(30)25(31)28(22)14-15-4-3-11-27-13-15/h3-13,22,29H,14H2,1-2H3/b23-21+InChIKey
NHPTYKFWBCFDEF-XTQSDGFTSA-NSynonyms
335402-99-8(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)5(34DIMETHOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4CHLOROPHENYL)(2(34DIMETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4chlorophenyl)(2(34dimethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
335402998
5(34DIMETHOXYPHENYL)4((4CHLOROPHENYL)CARBONYL)3HYDROXY1(3PYRIDYLMETHYL)3PYRROLIN2ONE
COC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4)OC
COc1ccc(cc1OC)C1C(=C(c2ccc(cc2)Cl)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC25H21ClN2O5c1321910717(1220(19)332)2221(23(29)165818(26)9616)24(30)25(31)28(22)14154311271315h3132229H14H212H3b2321+
MFCD18244011
ZINC000102511152
ZINC000102511161
Check stock
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Check stock on Vitas-MAvailable files
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