Vitas-M small molecule compound
(2Z)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK575900
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccc(o1)C)/C2=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 C21H24N2O5 MW 384.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O5/c1-14-2-3-15(27-14)12-19-20(26)16-4-5-18(25)17(21(16)28-19)13-23-8-6-22(7-9-23)10-11-24/h2-5,12,24-25H,6-11,13H2,1H3/b19-12-InChIKey
GOZZTMUMHPNPIB-UNOMPAQXSA-NSynonyms
896068-99-8(2Z)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)2((5METHYLFURAN2YL)METHYLIDENE)1BENZOFURAN3ONE
(2Z)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)2((5methylfuran2yl)methylidene)3oxo23dihydro1benzofuran6olate
6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)2((5METHYL(2FURYL))METHYLENE)BENZO(B)FURAN3ONE
CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)CCO
InChI=1SC21H24N2O5c1142315(2714)121920(26)164518(25)17(21(16)2819)13238622(7923)101124h25122425H61113H21H3b1912
MFCD06591571
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1ccc(o1)C)C2=O
ZINC000022939623
ZINC22939623
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