Vitas-M small molecule compound

(2E)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK629163
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C/c1cn(c3c1cccc3)C)/C2=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 C25H27N3O4 MW 433.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4/c1-26-15-17(18-4-2-3-5-21(18)26)14-23-24(31)19-6-7-22(30)20(25(19)32-23)16-28-10-8-27(9-11-28)12-13-29/h2-7,14-15,29-30H,8-13,16H2,1H3/b23-14+
InChIKey
BOEYYCYEWGNRAH-OEAKJJBVSA-N
Synonyms
929489-72-5
(2E)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)2((1methyl1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6olate
(2E)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)2((1methylindol3yl)methylidene)3oxo1benzofuran6olate
929489725
CN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)(O))C(NH+)5CCN(CC5)CCO
InChI=1SC25H27N3O4c1261517(18423521(18)26)142324(31)196722(30)20(25(19)3223)162810827(91128)121329h2714152930H81316H21H3b2314+
MFCD09789529
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cn(c3c1cccc3)C)C2=O
ZINC000020647490
ZINC20647490

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Available files

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