Vitas-M small molecule compound
(2Z)-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856331
SMILES COc1ccccc1/C=C/C=C/1\Oc2c(C1=O)ccc(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 C23H23NO4 MW 377.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO4/c1-27-20-9-3-2-7-16(20)8-6-10-21-22(26)17-11-12-19(25)18(23(17)28-21)15-24-13-4-5-14-24/h2-3,6-12,25H,4-5,13-15H2,1H3/b8-6+,21-10-InChIKey
WHEMBMPIXMTFNQ-XNRSFFRDSA-NSynonyms
899395-12-1(2Z)2((2E)3(2methoxyphenyl)prop2en1ylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
(2Z)2((E)3(2methoxyphenyl)prop2enylidene)3oxo7(pyrrolidin1ium1ylmethyl)1benzofuran6olate
899395121
COC1=CC=CC=C1C=CC=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)4CCCC4
COc1ccccc1C=CC=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCC1)(O)
InChI=1SC23H23NO4c12720932716(20)86102122(26)17111219(25)18(23(17)2821)152413451424h2361225H451315H21H3b86+2110
MFCD06606413
ZINC000020649841
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