Vitas-M small molecule compound
(E)-[2-(4-chlorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](3,4-dimethoxyphenyl)methanolate
Catalog ID
STL150856
SMILES COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)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 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)23(29)21-22(16-5-8-18(26)9-6-16)28(25(31)24(21)30)14-15-4-3-11-27-13-15/h3-13,22,29H,14H2,1-2H3/b23-21+InChIKey
NCQYANHGMAGNIU-XTQSDGFTSA-NSynonyms
636989-55-4(4E)5(4CHLOROPHENYL)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4CHLOROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(34DIMETHOXYPHENYL)METHANOLATE
(E)(2(4chlorophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(34dimethoxyphenyl)methanolate
4((34DIMETHOXYPHENYL)CARBONYL)5(4CHLOROPHENYL)3HYDROXY1(3PYRIDYLMETHYL)3PYRROLIN2ONE
636989554
COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=C(C=C4)Cl)(O))OC
COc1ccc(cc1OC)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Cl)Cc1ccc(nH+)c1)(O)
InChI=1SC25H21ClN2O5c1321910717(1220(19)332)23(29)2122(165818(26)9616)28(25(31)24(21)30)14154311271315h3132229H14H212H3b2321+
MFCD20755918
ZINC000102931287
ZINC000102931289
Check stock
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Check stock on Vitas-MAvailable files
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