Vitas-M small molecule compound

(2Z)-2-[4-(methoxycarbonyl)benzylidene]-4-methyl-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK854664
SMILES COC(=O)c1ccc(cc1)/C=C/1\Oc2c(C1=O)c(C)cc(c2C[NH+]1CCCC1)[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 C23H23NO5 MW 393.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO5/c1-14-11-18(25)17(13-24-9-3-4-10-24)22-20(14)21(26)19(29-22)12-15-5-7-16(8-6-15)23(27)28-2/h5-8,11-12,25H,3-4,9-10,13H2,1-2H3/b19-12-
InChIKey
ZOGGYMHTKCDVLR-UNOMPAQXSA-N
Synonyms
903850-90-8
(2Z)2((4methoxycarbonylphenyl)methylidene)4methyl3oxo7(pyrrolidin1ium1ylmethyl)1benzofuran6olate
(2Z)2(4(methoxycarbonyl)benzylidene)4methyl3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
903850908
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)O2)C(NH+)4CCCC4)(O)
COC(=O)c1ccc(cc1)C=C1Oc2c(C1=O)c(C)cc(c2C(NH+)1CCCC1)(O)
InChI=1SC23H23NO5c1141118(25)17(13249341024)2220(14)21(26)19(2922)12155716(8615)23(27)282h58111225H3491013H212H3b1912
MFCD08293182
ZINC000020591612

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Available files

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