Vitas-M small molecule compound

(E)-[3-fluoro-4-(propan-2-yloxy)phenyl]{2-(3-methoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK577397
SMILES COc1cccc(c1)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)36-22-8-7-19(16-21(22)28)25(31)23-24(18-5-4-6-20(15-18)34-3)30(27(33)26(23)32)10-9-29-11-13-35-14-12-29/h4-8,15-17,24,31H,9-14H2,1-3H3/b25-23+
InChIKey
QOHBUDGHEURBJH-WJTDDFOZSA-N
Synonyms

(4E)4((3FLUORO4PROPAN2YLOXYPHENYL)HYDROXYMETHYLIDENE)5(3METHOXYPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(3fluoro4(propan2yloxy)phenyl)(2(3methoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(3FLUORO4PROPAN2YLOXYPHENYL)(2(3METHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
4((3FLUORO4(METHYLETHOXY)PHENYL)CARBONYL)3HYDROXY5(3METHOXYPHENYL)1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
CC(C)OC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC(=CC=C4)OC)(O))F
COc1cccc(c1)C1C(=C(c2ccc(c(c2)F)OC(C)C)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC27H31FN2O6c117(2)36228719(1621(22)28)25(31)2324(1854620(1518)343)30(27(33)26(23)32)10929111335141229h4815172431H914H213H3b2523+
MFCD18245581
ZINC000102581587
ZINC000102581592

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Available files

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