Vitas-M small molecule compound

(2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STL532975
SMILES CC1Oc2ccccc2C=C1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCOCC1)[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 C24H23NO5 MW 405.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23NO5/c1-15-17(12-16-4-2-3-5-21(16)29-15)13-22-23(27)18-6-7-20(26)19(24(18)30-22)14-25-8-10-28-11-9-25/h2-7,12-13,15,26H,8-11,14H2,1H3/b22-13-
InChIKey
HCSDQQCLUORIMG-XKZIYDEJSA-N
Synonyms
864753-09-3
(2~(Z))2((2methyl2~(H)chromen3yl)methylidene)7(morpholin4ium4ylmethyl)3oxo1benzofuran6olate
(2Z)2((2methyl2Hchromen3yl)methylidene)7(morpholin4ium4ylmethyl)3oxo23dihydro1benzofuran6olate
44664199
864753093
MFCD06767386
ZINC000020612295
ZINC000020612297

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Available files

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