Vitas-M small molecule compound
methyl 4-{(Z)-[6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-oxo-1-benzofuran-2(3H)-ylidene]methyl}benzoate
Catalog ID
STL033176
SMILES OCCN1CCN(CC1)Cc1c(O)ccc2c1O/C(=C\c1ccc(cc1)C(=O)OC)/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 C24H26N2O6 MW 438.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O6/c1-31-24(30)17-4-2-16(3-5-17)14-21-22(29)18-6-7-20(28)19(23(18)32-21)15-26-10-8-25(9-11-26)12-13-27/h2-7,14,27-28H,8-13,15H2,1H3/b21-14-InChIKey
IPHDWGRYDSJHGK-STZFKDTASA-NSynonyms
869078-50-2(2Z)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)2((4methoxycarbonylphenyl)methylidene)3oxo1benzofuran6olate
(Z)methyl4((6hydroxy7((4(2hydroxyethyl)piperazin1yl)methyl)3oxobenzofuran2(3H)ylidene)methyl)benzoate
COC(=O)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)4CCN(CC4)CCO
InChI=1SC24H26N2O6c13124(30)174216(3517)142122(29)186720(28)19(23(18)3221)152610825(91126)121327h27142728H81315H21H3b2114
METHYL4((6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)3OXOBENZO(D)FURAN2YLIDENE)METHYL)BENZOATE
methyl4((Z)(6hydroxy7((4(2hydroxyethyl)piperazin1yl)methyl)3oxo1benzofuran2(3H)ylidene)methyl)benzoate
OCCN1CCN(CC1)Cc1c(O)ccc2c1OC(=Cc1ccc(cc1)C(=O)OC)C2=O
ZINC22788155
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