Vitas-M small molecule compound

(E)-{2-(4-fluorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(propan-2-yloxy)phenyl]methanolate

Catalog ID
STL037243
SMILES CC(Oc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)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 C28H33FN2O5 MW 496.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33FN2O5/c1-18(2)36-23-10-7-21(17-19(23)3)26(32)24-25(20-5-8-22(29)9-6-20)31(28(34)27(24)33)12-4-11-30-13-15-35-16-14-30/h5-10,17-18,25,32H,4,11-16H2,1-3H3/b26-24+
InChIKey
AWIILUCEAGYMKP-SHHOIMCASA-N
Synonyms
840471-60-5
(4E)5(4FLUOROPHENYL)4(HYDROXY(3METHYL4PROPAN2YLOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4fluorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(3methyl4(propan2yloxy)phenyl)methanolate
(E)(2(4FLUOROPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PROPAN2YLOXYPHENYL)METHANOLATE
840471605
CC(Oc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)CCC(NH+)1CCOCC1)(O))C
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)F)O)OC(C)C
InChI=1SC28H33FN2O5c118(2)362310721(1719(23)3)26(32)2425(205822(29)9620)31(28(34)27(24)33)1241130131535161430h51017182532H41116H213H3b2624+
MFCD18247389
ZINC000102377691
ZINC000102377694

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Available files

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