Vitas-M small molecule compound

(E)-{1-[3-(dimethylammonio)propyl]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate

Catalog ID
STK566457
SMILES COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)F)CCC[NH+](C)C)/[O-]

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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 C23H25FN2O4 MW 412.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25FN2O4/c1-25(2)11-6-12-26-20(15-7-4-9-17(24)13-15)19(22(28)23(26)29)21(27)16-8-5-10-18(14-16)30-3/h4-5,7-10,13-14,20,27H,6,11-12H2,1-3H3/b21-19+
InChIKey
ZXYKJZOXLYVMOA-XUTLUUPISA-N
Synonyms
615274-11-8
(4E)1(3(DIMETHYLAMINO)PROPYL)5(3FLUOROPHENYL)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(4Z)1(3(DIMETHYLAMINO)PROPYL)5(3FLUOROPHENYL)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(3fluorophenyl)45dioxopyrrolidin3ylidene)(3methoxyphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(3FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHOXYPHENYL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)5(3FLUOROPHENYL)3HYDROXY4((3METHOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615274118
CN(C)CCCN1C(C(=C(C2=CC(=CC=C2)OC)O)C(=O)C1=O)C3=CC(=CC=C3)F
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)F)CCC(NH+)(C)C)(O)
InChI=1SC23H25FN2O4c125(2)116122620(1574917(24)1315)19(22(28)23(26)29)21(27)16851018(1416)303h4571013142027H61112H213H3b2119+
MFCD18245028
ZINC000005799812
ZINC000005799838

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Available files

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