Vitas-M small molecule compound
(2Z)-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-oxo-7-(piperidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK578906
SMILES COc1ccccc1/C=C/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 C24H25NO4 MW 391.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO4/c1-28-21-10-4-3-8-17(21)9-7-11-22-23(27)18-12-13-20(26)19(24(18)29-22)16-25-14-5-2-6-15-25/h3-4,7-13,26H,2,5-6,14-16H2,1H3/b9-7+,22-11-InChIKey
RZHAGHCGZZAUND-TUVYINGVSA-NSynonyms
896853-31-9(2Z)2((2E)3(2methoxyphenyl)prop2en1ylidene)3oxo7(piperidinium1ylmethyl)23dihydro1benzofuran6olate
COC1=CC=CC=C1C=CC=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCCCC4
COc1ccccc1C=CC=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCCC1)(O)
InChI=1SC24H25NO4c128211043817(21)97112223(27)18121320(26)19(24(18)2922)1625145261525h3471326H2561416H21H3b97+2211
MFCD06603122
ZINC000020518910
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