Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl)[4,5-dioxo-2-phenyl-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK560628
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)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 C25H21ClN2O4 MW 448.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O4/c1-2-32-20-11-10-18(13-19(20)26)23(29)21-22(17-8-4-3-5-9-17)28(25(31)24(21)30)15-16-7-6-12-27-14-16/h3-14,22,29H,2,15H2,1H3/b23-21+InChIKey
PWWSPIRJHVYJMB-XTQSDGFTSA-NSynonyms
850729-42-9(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5PHENYL1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(3CHLORO4ETHOXYPHENYL)(45DIOXO2PHENYL1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(3chloro4ethoxyphenyl)(45dioxo2phenyl1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
850729429
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CC=C4)O)Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccccc1)Cc1ccc(nH+)c1)(O)
InChI=1SC25H21ClN2O4c123220111018(1319(20)26)23(29)2122(178435917)28(25(31)24(21)30)15167612271416h3142229H215H21H3b2321+
MFCD18243588
ZINC000102497552
ZINC000102497561
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