Vitas-M small molecule compound
(2Z)-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-6-yl 3-methoxybenzoate
Catalog ID
STK924478
SMILES COc1cccc(c1)C(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)/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 C25H18O5 MW 398.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18O5/c1-28-19-11-6-10-18(15-19)25(27)29-20-13-14-21-23(16-20)30-22(24(21)26)12-5-9-17-7-3-2-4-8-17/h2-16H,1H3/b9-5+,22-12-InChIKey
HPUKMMWKEJWFSJ-LUIQNUNFSA-NSynonyms
622789-35-9((2Z)3OXO2((E)3PHENYLPROP2ENYLIDENE)1BENZOFURAN6YL)3METHOXYBENZOATE
(2Z)3oxo2((2E)3phenylprop2en1ylidene)23dihydro1benzofuran6yl3methoxybenzoate
(Z)3oxo2((E)3phenylallylidene)23dihydrobenzofuran6yl3methoxybenzoate
2((2E)3PHENYLPROP2ENYLIDENE)3OXOBENZO(34B)FURAN6YL3METHOXYBENZOATE
622789359
COC1=CC=CC(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC=CC4=CC=CC=C4)O3
COc1cccc(c1)C(=O)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O
InChI=1SC25H18O5c128191161018(1519)25(27)292013142123(1620)3022(24(21)26)1259177324817h216H1H3b95+2212
MFCD04143979
ZINC000012662990
ZINC12662990
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