Vitas-M small molecule compound
(E)-[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{2-(2-fluorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL148404
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)CCC[NH+]1CCOCC1)/[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 C27H32FN3O6 MW 513.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32FN3O6/c1-4-37-27(35)22-16(2)20(17(3)29-22)24(32)21-23(18-8-5-6-9-19(18)28)31(26(34)25(21)33)11-7-10-30-12-14-36-15-13-30/h5-6,8-9,23,29,32H,4,7,10-15H2,1-3H3/b24-21+InChIKey
KLAKSZOATOZRGN-DARPEHSRSA-NSynonyms
847243-84-9(E)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)(2(2fluorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)(2(2FLUOROPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
847243849
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccccc1F)CCC(NH+)1CCOCC1)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=CC=C4F)O)C
ETHYL4((2(2FLUOROPHENYL)4HYDROXY1(3MORPHOLIN4YLPROPYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)(2(2FLUOROPHENYL)1(3MORPHOLIN4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC27H32FN3O6c143727(35)2216(2)20(17(3)2922)24(32)2123(18856919(18)28)31(26(34)25(21)33)1171030121436151330h5689232932H471015H213H3b2421+
MFCD20755387
ZINC000102928303
ZINC000102928305
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