Vitas-M small molecule compound

(2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-4-methyl-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK619204
SMILES Brc1ccc2c(c1)cc(o2)/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 C23H20BrNO4 MW 454.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20BrNO4/c1-13-8-18(26)17(12-25-6-2-3-7-25)23-21(13)22(27)20(29-23)11-16-10-14-9-15(24)4-5-19(14)28-16/h4-5,8-11,26H,2-3,6-7,12H2,1H3/b20-11-
InChIKey
SNJDWICKKYRDDV-JAIQZWGSSA-N
Synonyms
929861-78-9
(2Z)2((5bromo1benzofuran2yl)methylidene)4methyl3oxo7(pyrrolidin1ium1ylmethyl)1benzofuran6olate
(2Z)2((5bromo1benzofuran2yl)methylidene)4methyl3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
2((5BROMOBENZO(D)FURAN2YL)METHYLENE)6HYDROXY4METHYL7(PYRROLIDINYLMETHYL)BENZO(B)FURAN3ONE
Brc1ccc2c(c1)cc(o2)C=C1Oc2c(C1=O)c(C)cc(c2C(NH+)1CCCC1)(O)
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=C(O3)C=CC(=C4)Br)O2)C(NH+)5CCCC5)(O)
InChI=1SC23H20BrNO4c113818(26)17(1225623725)2321(13)22(27)20(2923)11161014915(24)4519(14)2816h4581126H236712H21H3b2011
MFCD09793296
ZINC000020625263
ZINC20625263

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Available files

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