Vitas-M small molecule compound

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

Catalog ID
STK594517
SMILES Clc1cccc(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 C26H28ClFN2O5 MW 502.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClFN2O5/c1-16(2)35-21-7-6-18(15-20(21)28)24(31)22-23(17-4-3-5-19(27)14-17)30(26(33)25(22)32)9-8-29-10-12-34-13-11-29/h3-7,14-16,23,31H,8-13H2,1-2H3/b24-22+
InChIKey
PGRKCYPIESBLLM-ZNTNEXAZSA-N
Synonyms
902030-48-2
(4E)5(3CHLOROPHENYL)4((3FLUORO4PROPAN2YLOXYPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(3chlorophenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(3fluoro4(propan2yloxy)phenyl)methanolate
(E)(2(3CHLOROPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(3FLUORO4PROPAN2YLOXYPHENYL)METHANOLATE
5(3CHLOROPHENYL)4((3FLUORO4(METHYLETHOXY)PHENYL)CARBONYL)3HYDROXY1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
902030482
CC(C)OC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC(=CC=C4)Cl)(O))F
Clc1cccc(c1)C1C(=C(c2ccc(c(c2)F)OC(C)C)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC26H28ClFN2O5c116(2)35217618(1520(21)28)24(31)2223(1743519(27)1417)30(26(33)25(22)32)9829101234131129h3714162331H813H212H3b2422+
MFCD18245989
ZINC000102615177
ZINC000102615187

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Available files

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