Vitas-M small molecule compound
(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK623955
SMILES CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)/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 C24H25ClN2O5 MW 456.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClN2O5/c1-2-26-5-7-27(8-6-26)12-19-20(28)4-3-18-22(29)21(32-24(18)19)11-15-9-17(25)10-16-13-30-14-31-23(15)16/h3-4,9-11,28H,2,5-8,12-14H2,1H3/b21-11-InChIKey
YSSZKBGWWZNERZ-NHDPSOOVSA-NSynonyms
951981-38-7(2Z)2((6chloro4H13benzodioxin8yl)methylidene)7((4ethylpiperazin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2((6chloro4H13benzodioxin8yl)methylidene)7((4ethylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
2((6CHLORO(2H4HBENZO(E)13DIOXIN8YL))METHYLENE)7((4ETHYLPIPERAZINYL)METHYL)6HYDROXYBENZO(B)FURAN3ONE
CCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O
CCN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC5=C4OCOC5)Cl)C3=O)(O)
InChI=1SC24H25ClN2O5c12265727(8626)121920(28)431822(29)21(3224(18)19)1115917(25)10161330143123(15)16h3491128H2581214H21H3b2111
MFCD09857896
ZINC000022936036
ZINC22936036
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