Vitas-M small molecule compound

(2Z)-7-[(dimethylammonio)methyl]-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK852532
SMILES COc1ccccc1/C=C/C=C/1\Oc2c(C1=O)ccc(c2C[NH+](C)C)[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 C21H21NO4 MW 351.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO4/c1-22(2)13-16-17(23)12-11-15-20(24)19(26-21(15)16)10-6-8-14-7-4-5-9-18(14)25-3/h4-12,23H,13H2,1-3H3/b8-6+,19-10-
InChIKey
RPRLTBCTIQEUEM-YZFGBBDKSA-N
Synonyms
896076-89-4
(2Z)7((DIMETHYLAMINO)METHYL)2((E)3(2METHOXYPHENYL)PROP2ENYLIDENE)6OXIDANYL1BENZOFURAN3ONE
(2Z)7((DIMETHYLAMINO)METHYL)6HYDROXY2((E)3(2METHOXYPHENYL)PROP2ENYLIDENE)1BENZOFURAN3ONE
(2Z)7((DIMETHYLAMINO)METHYL)6HYDROXY2((E)3(2METHOXYPHENYL)PROP2ENYLIDENE)3BENZOFURANONE
(2Z)7((DIMETHYLAMINO)METHYL)6HYDROXY2((E)3(2METHOXYPHENYL)PROP2ENYLIDENE)COUMARAN3ONE
(2Z)7((dimethylammonio)methyl)2((2E)3(2methoxyphenyl)prop2en1ylidene)3oxo23dihydro1benzofuran6olate
(2Z)7(DIMETHYLAMINOMETHYL)6HYDROXY2((E)3(2METHOXYPHENYL)PROP2ENYLIDENE)1BENZOFURAN3ONE
2((2E)3(2METHOXYPHENYL)PROP2ENYLIDENE)7((DIMETHYLAMINO)METHYL)6HYDROXYBENZO(B)FURAN3ONE
7DIMETHYLAMINOMETHYL6HYDROXY2((E)3(2METHOXYPHENYL)PROP2EN(Z)YLIDENE)BENZOFURAN3ONE
896076894
CN(C)CC1=C(C=CC2=C1OC(=CC=CC3=CC=CC=C3OC)C2=O)O
COc1ccccc1C=CC=C1Oc2c(C1=O)ccc(c2C(NH+)(C)C)(O)
InChI=1SC21H21NO4c122(2)131617(23)12111520(24)19(2621(15)16)106814745918(14)253h41223H13H213H3b86+1910
MFCD06592571
ZINC000013655790
ZINC13655790

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Available files

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