Vitas-M small molecule compound

methyl 4-{(3E)-1-[2-(dimethylamino)ethyl]-3-[(3-fluoro-4-methoxyphenyl)(hydroxy)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate

Catalog ID
STK637308
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc(c(c2)F)OC)\O)/C(=O)C(=O)N1CCN(C)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 C24H25FN2O6 MW 456.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25FN2O6/c1-26(2)11-12-27-20(14-5-7-15(8-6-14)24(31)33-4)19(22(29)23(27)30)21(28)16-9-10-18(32-3)17(25)13-16/h5-10,13,20,28H,11-12H2,1-4H3/b21-19+
InChIKey
JQOVCKXQUMWJBE-XUTLUUPISA-N
Synonyms
951997-30-1
951997301
CN(C)CCN1C(C(=C(C2=CC(=C(C=C2)OC)F)O)C(=O)C1=O)C3=CC=C(C=C3)C(=O)OC
COC(=O)c1ccc(cc1)C1C(=C(c2ccc(c(c2)F)OC)O)C(=O)C(=O)N1CCN(C)C
InChI=1SC24H25FN2O6c126(2)11122720(145715(8614)24(31)334)19(22(29)23(27)30)21(28)1691018(323)17(25)1316h510132028H1112H214H3b2119+
methyl4((3E)1(2(dimethylamino)ethyl)3((3fluoro4methoxyphenyl)(hydroxy)methylidene)45dioxopyrrolidin2yl)benzoate
methyl4((3E)1(2(dimethylamino)ethyl)3((3fluoro4methoxyphenyl)hydroxymethylidene)45dioxopyrrolidin2yl)benzoate
MFCD09794639
ZINC000102741240
ZINC000102741243

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Available files

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