Vitas-M small molecule compound
(E)-[3-fluoro-4-(propan-2-yloxy)phenyl]{2-[4-(methoxycarbonyl)phenyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK574462
SMILES COC(=O)c1ccc(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 C28H31FN2O7 MW 526.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31FN2O7/c1-17(2)38-22-9-8-20(16-21(22)29)25(32)23-24(18-4-6-19(7-5-18)28(35)36-3)31(27(34)26(23)33)11-10-30-12-14-37-15-13-30/h4-9,16-17,24,32H,10-15H2,1-3H3/b25-23+InChIKey
QTONXYCSGHJLDM-WJTDDFOZSA-NSynonyms
902009-60-3(E)(3fluoro4(propan2yloxy)phenyl)(2(4(methoxycarbonyl)phenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(3FLUORO4PROPAN2YLOXYPHENYL)(2(4METHOXYCARBONYLPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
902009603
CC(C)OC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=C(C=C4)C(=O)OC)O)F
COC(=O)c1ccc(cc1)C1C(=C(c2ccc(c(c2)F)OC(C)C)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC28H31FN2O7c117(2)38229820(1621(22)29)25(32)2324(184619(7518)28(35)363)31(27(34)26(23)33)111030121437151330h4916172432H1015H213H3b2523+
METHYL4((3E)3((3FLUORO4PROPAN2YLOXYPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)45DIOXOPYRROLIDIN2YL)BENZOATE
METHYL4(3((3FLUORO4(METHYLETHOXY)PHENYL)CARBONYL)4HYDROXY1(2MORPHOLIN4YLETHYL)5OXO3PYRROLIN2YL)BENZOATE
MFCD18245505
ZINC000102574907
ZINC000102574912
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