Vitas-M small molecule compound

(2Z)-7-{[benzyl(methyl)ammonio]methyl}-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK851368
SMILES Cc1ccc(o1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+](Cc1ccccc1)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 C23H21NO4 MW 375.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO4/c1-15-8-9-17(27-15)12-21-22(26)18-10-11-20(25)19(23(18)28-21)14-24(2)13-16-6-4-3-5-7-16/h3-12,25H,13-14H2,1-2H3/b21-12-
InChIKey
FISYOVNORJFMDA-MTJSOVHGSA-N
Synonyms
896809-77-1
(2Z)7((BENZYL(METHYL)AMINO)METHYL)6HYDROXY2((5METHYLFURAN2YL)METHYLIDENE)1BENZOFURAN3ONE
(2Z)7((benzyl(methyl)ammonio)methyl)2((5methylfuran2yl)methylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((benzyl(methyl)azaniumyl)methyl)2((5methylfuran2yl)methylidene)3oxo1benzofuran6olate
6HYDROXY2((5METHYL(2FURYL))METHYLENE)7((METHYLBENZYLAMINO)METHYL)BENZO(B)FURAN3ONE
896809771
CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)(C)CC4=CC=CC=C4
Cc1ccc(o1)C=C1Oc2c(C1=O)ccc(c2C(NH+)(Cc1ccccc1)C)(O)
InChI=1SC23H21NO4c1158917(2715)122122(26)18101120(25)19(23(18)2821)1424(2)13166435716h31225H1314H212H3b2112
MFCD06596059
ZINC000002203065
ZINC2203065

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Available files

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