Vitas-M small molecule compound
methyl 4-({[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate
Catalog ID
STK992547
SMILES COC(=O)c1ccc(cc1)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/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 C25H18O7 MW 430.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18O7/c1-28-25(27)17-5-2-15(3-6-17)13-29-18-7-8-19-21(12-18)32-23(24(19)26)11-16-4-9-20-22(10-16)31-14-30-20/h2-12H,13-14H2,1H3/b23-11-InChIKey
NXGMIGMYDBAFCK-KSEXSDGBSA-NSynonyms
929506-06-9(Z)methyl4(((2(benzo(d)(13)dioxol5ylmethylene)3oxo23dihydrobenzofuran6yl)oxy)methyl)benzoate
929506069
COC(=O)C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=O)C(=CC4=CC5=C(C=C4)OCO5)O3
COC(=O)c1ccc(cc1)COc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O
InChI=1SC25H18O7c12825(27)175215(3617)132918781921(1218)3223(24(19)26)1116492022(1016)31143020h212H1314H21H3b2311
methyl4((((2Z)2(13benzodioxol5ylmethylidene)3oxo23dihydro1benzofuran6yl)oxy)methyl)benzoate
methyl4(((2Z)2(13benzodioxol5ylmethylidene)3oxo1benzofuran6yl)oxymethyl)benzoate
METHYL4((2(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)3OXOBENZO(34B)FURAN6YLOXY)METHYL)BENZOATE
MFCD09849431
ZINC000009054245
ZINC09054245
ZINC9054245
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