Vitas-M small molecule compound
methyl 2-({(2Z)-3-oxo-2-[4-(propan-2-yl)benzylidene]-2,3-dihydro-1-benzofuran-6-yl}oxy)propanoate
Catalog ID
STK923374
SMILES COC(=O)C(Oc1ccc2c(c1)O/C(=C\c1ccc(cc1)C(C)C)/C2=O)C
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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 C22H22O5 MW 366.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22O5/c1-13(2)16-7-5-15(6-8-16)11-20-21(23)18-10-9-17(12-19(18)27-20)26-14(3)22(24)25-4/h5-14H,1-4H3/b20-11-InChIKey
SIKIPCLWDIIQAH-JAIQZWGSSA-NSynonyms
859137-84-1(Z)methyl2((2(4isopropylbenzylidene)3oxo23dihydrobenzofuran6yl)oxy)propanoate
859137841
CC(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(C)C(=O)OC
COC(=O)C(Oc1ccc2c(c1)OC(=Cc1ccc(cc1)C(C)C)C2=O)C
InChI=1SC22H22O5c113(2)167515(6816)112021(23)1810917(1219(18)2720)2614(3)22(24)254h514H14H3b2011
METHYL2(((2Z)3OXO2((4PROPAN2YLPHENYL)METHYLIDENE)1BENZOFURAN6YL)OXY)PROPANOATE
methyl2(((2Z)3oxo2(4(propan2yl)benzylidene)23dihydro1benzofuran6yl)oxy)propanoate
METHYL2(2((4(METHYLETHYL)PHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLOXY)PROPANOATE
MFCD04146524
ZINC000002107152
ZINC000002107155
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