Vitas-M small molecule compound
(2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STL529547
SMILES CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\C1=Cc3ccccc3OC1C)/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 C26H28N2O4 MW 432.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O4/c1-3-27-10-12-28(13-11-27)16-21-22(29)9-8-20-25(30)24(32-26(20)21)15-19-14-18-6-4-5-7-23(18)31-17(19)2/h4-9,14-15,17,29H,3,10-13,16H2,1-2H3/b24-15-InChIKey
ZYVSSGXGDILMNV-IWIPYMOSSA-NSynonyms
864751-66-6(2~(Z))7((4ethylpiperazin1ium1yl)methyl)2((2methyl2~(H)chromen3yl)methylidene)3oxo1benzofuran6olate
(2Z)7((4ethylpiperazin1ium1yl)methyl)2((2methyl2Hchromen3yl)methylidene)3oxo23dihydro1benzofuran6olate
44663617
864751666
InChI=1SC26H28N2O4c1327101228(131127)162122(29)982025(30)24(3226(20)21)15191418645723(18)3117(19)2h4914151729H3101316H212H3b2415
MFCD06766718
ZINC000020612175
ZINC000020612177
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