Vitas-M small molecule compound
(E)-[3-fluoro-4-(propan-2-yloxy)phenyl]{2-(4-methoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK597556
SMILES COc1ccc(cc1)C1/C(=C(/c2ccc(c(c2)F)OC(C)C)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1
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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 C27H31FN2O6 MW 498.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31FN2O6/c1-17(2)36-22-9-6-19(16-21(22)28)25(31)23-24(18-4-7-20(34-3)8-5-18)30(27(33)26(23)32)11-10-29-12-14-35-15-13-29/h4-9,16-17,24,31H,10-15H2,1-3H3/b25-23+InChIKey
OVTKHIAKZKODSZ-WJTDDFOZSA-NSynonyms
902323-65-3(4E)4((3FLUORO4PROPAN2YLOXYPHENYL)HYDROXYMETHYLIDENE)5(4METHOXYPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(3fluoro4(propan2yloxy)phenyl)(2(4methoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(3FLUORO4PROPAN2YLOXYPHENYL)(2(4METHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
4((3FLUORO4(METHYLETHOXY)PHENYL)CARBONYL)3HYDROXY5(4METHOXYPHENYL)1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
902323653
CC(C)OC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=C(C=C4)OC)O)F
COc1ccc(cc1)C1C(=C(c2ccc(c(c2)F)OC(C)C)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC27H31FN2O6c117(2)36229619(1621(22)28)25(31)2324(184720(343)8518)30(27(33)26(23)32)111029121435151329h4916172431H1015H213H3b2523+
MFCD18246066
ZINC000102623418
ZINC000102623425
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