Vitas-M small molecule compound
(E)-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl][2-(3-fluorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK565212
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)F)Cc1ccc[nH+]c1)/[O-])C
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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 C26H24FN3O5 MW 477.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24FN3O5/c1-4-35-26(34)21-14(2)19(15(3)29-21)23(31)20-22(17-8-5-9-18(27)11-17)30(25(33)24(20)32)13-16-7-6-10-28-12-16/h5-12,22,29,31H,4,13H2,1-3H3/b23-20+InChIKey
OATYQTHCDCANED-BSYVCWPDSA-NSynonyms
847336-27-0(E)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)(2(3fluorophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
(E)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(2(3FLUOROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
847336270
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)F)Cc1ccc(nH+)c1)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=CC=C4)F)(O))C
ETHYL4((E)(2(3FLUOROPHENYL)45DIOXO1(PYRIDIN3YLMETHYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC26H24FN3O5c143526(34)2114(2)19(15(3)2921)23(31)2022(1785918(27)1117)30(25(33)24(20)32)13167610281216h512222931H413H213H3b2320+
MFCD18244720
ZINC000102533351
ZINC000102533361
Check stock
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Check stock on Vitas-MAvailable files
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