Vitas-M small molecule compound
(2Z)-2-(1-benzofuran-2-ylmethylidene)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK629970
SMILES O=C1/C(=C/c2cc3c(o2)cccc3)/Oc2c1ccc(c2C[NH+]1CCOCC1)[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 C22H19NO5 MW 377.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO5/c24-18-6-5-16-21(25)20(12-15-11-14-3-1-2-4-19(14)27-15)28-22(16)17(18)13-23-7-9-26-10-8-23/h1-6,11-12,24H,7-10,13H2/b20-12-InChIKey
IAKZSFSSUFGZQJ-NDENLUEZSA-NSynonyms
929825-84-3(2Z)2(1benzofuran2ylmethylidene)6hydroxy7(morpholin4ylmethyl)1benzofuran3one
(2Z)2(1benzofuran2ylmethylidene)7(morpholin4ium4ylmethyl)3oxo23dihydro1benzofuran6olate
2(BENZO(D)FURAN2YLMETHYLENE)6HYDROXY7(MORPHOLIN4YLMETHYL)BENZO(B)FURAN3ONE
C1COCCN1CC2=C(C=CC3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)O
InChI=1SC22H19NO5c2418651621(25)20(12151114312419(14)2715)2822(16)17(18)1323792610823h16111224H71013H2b2012
MFCD09798430
O=C1C(=Cc2cc3c(o2)cccc3)Oc2c1ccc(c2C(NH+)1CCOCC1)(O)
ZINC000009576684
ZINC09576684
ZINC9576684
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