Vitas-M small molecule compound
methyl 2-({(2Z)-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-6-yl}oxy)propanoate
Catalog ID
STK924588
SMILES COC(=O)C(Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)/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 C21H18O5 MW 350.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18O5/c1-14(21(23)24-2)25-16-11-12-17-19(13-16)26-18(20(17)22)10-6-9-15-7-4-3-5-8-15/h3-14H,1-2H3/b9-6+,18-10-InChIKey
OLHXEBPZAFTYPV-CVCOPPNTSA-NSynonyms
620546-46-5620546465
CC(C(=O)OC)OC1=CC2=C(C=C1)C(=O)C(=CC=CC3=CC=CC=C3)O2
COC(=O)C(Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O)C
InChI=1SC21H18O5c114(21(23)242)251611121719(1316)2618(20(17)22)1069157435815h314H12H3b96+1810
methyl2(((2Z)3oxo2((2E)3phenylprop2en1ylidene)23dihydro1benzofuran6yl)oxy)propanoate
METHYL2(((2Z)3OXO2((E)3PHENYLPROP2ENYLIDENE)1BENZOFURAN6YL)OXY)PROPANOATE
methyl2(((Z)3oxo2((E)3phenylallylidene)23dihydrobenzofuran6yl)oxy)propanoate
METHYL2(2((2E)3PHENYLPROP2ENYLIDENE)3OXOBENZO(34B)FURAN6YLOXY)PROPANOATE
MFCD04144216
ZINC000006166674
ZINC000006850678
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