Vitas-M small molecule compound
(2Z)-7-[(diethylammonio)methyl]-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856056
SMILES COc1ccccc1/C=C/C=C/1\Oc2c(C1=O)ccc(c2C[NH+](CC)CC)[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 C23H25NO4 MW 379.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO4/c1-4-24(5-2)15-18-19(25)14-13-17-22(26)21(28-23(17)18)12-8-10-16-9-6-7-11-20(16)27-3/h6-14,25H,4-5,15H2,1-3H3/b10-8+,21-12-InChIKey
GHDMGQGMVRQTEG-IKLMVFQXSA-NSynonyms
899390-71-7(2Z)7((diethylammonio)methyl)2((2E)3(2methoxyphenyl)prop2en1ylidene)3oxo23dihydro1benzofuran6olate
899390717
CCN(CC)CC1=C(C=CC2=C1OC(=CC=CC3=CC=CC=C3OC)C2=O)O
COc1ccccc1C=CC=C1Oc2c(C1=O)ccc(c2C(NH+)(CC)CC)(O)
InChI=1SC23H25NO4c1424(52)151819(25)14131722(26)21(2823(17)18)12810169671120(16)273h61425H4515H213H3b108+2112
MFCD06604836
ZINC000020624823
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