Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){4,5-dioxo-2-[4-(propan-2-yl)phenyl]-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STL046880
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)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 C28H27ClN2O4 MW 490.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN2O4/c1-4-35-23-12-11-21(14-22(23)29)26(32)24-25(20-9-7-19(8-10-20)17(2)3)31(28(34)27(24)33)16-18-6-5-13-30-15-18/h5-15,17,25,32H,4,16H2,1-3H3/b26-24+InChIKey
SXVOEJUDIMGBDW-SHHOIMCASA-NSynonyms
797796-74-8(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5(4PROPAN2YLPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(45dioxo2(4(propan2yl)phenyl)1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
(E)(3CHLORO4ETHOXYPHENYL)(45DIOXO2(4PROPAN2YLPHENYL)1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
797796748
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=C(C=C4)C(C)C)(O))Cl
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)Cc1ccc(nH+)c1)(O)
InChI=1SC28H27ClN2O4c143523121121(1422(23)29)26(32)2425(209719(81020)17(2)3)31(28(34)27(24)33)16186513301518h515172532H416H213H3b2624+
MFCD18248945
ZINC000102881914
ZINC000102881916
Check stock
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