Vitas-M small molecule compound
(2Z)-2-(1-benzofuran-2-ylmethylidene)-3-oxo-7-(piperidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856511
SMILES O=C1/C(=C/c2cc3c(o2)cccc3)/Oc2c1ccc(c2C[NH+]1CCCCC1)[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 C23H21NO4 MW 375.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO4/c25-19-9-8-17-22(26)21(13-16-12-15-6-2-3-7-20(15)27-16)28-23(17)18(19)14-24-10-4-1-5-11-24/h2-3,6-9,12-13,25H,1,4-5,10-11,14H2/b21-13-InChIKey
WXARJPLMINWLKJ-BKUYFWCQSA-NSynonyms
929827-22-5(2Z)2(1benzofuran2ylmethylidene)3oxo7(piperidinium1ylmethyl)23dihydro1benzofuran6olate
(2Z)2(1benzofuran2ylmethylidene)6hydroxy7(piperidin1ylmethyl)1benzofuran3one
2(BENZO(D)FURAN2YLMETHYLENE)6HYDROXY7(PIPERIDYLMETHYL)BENZO(B)FURAN3ONE
929827225
C1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)O
InChI=1SC23H21NO4c2519981722(26)21(13161215623720(15)2716)2823(17)18(19)1424104151124h2369121325H145101114H2b2113
MFCD09797823
O=C1C(=Cc2cc3c(o2)cccc3)Oc2c1ccc(c2C(NH+)1CCCCC1)(O)
ZINC000009531829
ZINC9531829
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