Vitas-M small molecule compound
(2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-7-(piperidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STL529526
SMILES CC1Oc2ccccc2C=C1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCCC1)[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 C25H25NO4 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO4/c1-16-18(13-17-7-3-4-8-22(17)29-16)14-23-24(28)19-9-10-21(27)20(25(19)30-23)15-26-11-5-2-6-12-26/h3-4,7-10,13-14,16,27H,2,5-6,11-12,15H2,1H3/b23-14-InChIKey
JEIMDECKCJBDHW-UCQKPKSFSA-NSynonyms
864753-57-1(2~(Z))2((2methyl2~(H)chromen3yl)methylidene)3oxo7(piperidin1ium1ylmethyl)1benzofuran6olate
(2Z)2((2methyl2Hchromen3yl)methylidene)3oxo7(piperidinium1ylmethyl)23dihydro1benzofuran6olate
44663553
864753571
MFCD06767548
ZINC000020612351
ZINC000020612353
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