Vitas-M small molecule compound

(2Z)-7-(azepanium-1-ylmethyl)-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK847973
SMILES O=C1/C(=C/c2ccncc2)/Oc2c1ccc(c2C[NH+]1CCCCCC1)[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 C21H22N2O3 MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3/c24-18-6-5-16-20(25)19(13-15-7-9-22-10-8-15)26-21(16)17(18)14-23-11-3-1-2-4-12-23/h5-10,13,24H,1-4,11-12,14H2/b19-13-
InChIKey
UEGDZQIKUOMVAF-UYRXBGFRSA-N
Synonyms
896831-83-7
(2Z)7(AZEPAN1YLMETHYL)6HYDROXY2(PYRIDIN4YLMETHYLIDENE)1BENZOFURAN3ONE
(2Z)7(azepanium1ylmethyl)3oxo2(pyridin4ylmethylidene)23dihydro1benzofuran6olate
7(AZAPERHYDROEPINYLMETHYL)6HYDROXY2(4PYRIDYLMETHYLENE)BENZO(B)FURAN3ONE
896831837
C1CCCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=NC=C4)C3=O)O
InChI=1SC21H22N2O3c2418651620(25)19(1315792210815)2621(16)17(18)14231131241223h5101324H14111214H2b1913
MFCD06599406
O=C1C(=Cc2ccncc2)Oc2c1ccc(c2C(NH+)1CCCCCC1)(O)
ZINC000002218709
ZINC2218709

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Available files

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