Vitas-M small molecule compound

methyl 2-{[(2Z)-2-(4-ethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate

Catalog ID
STK992440
SMILES CCOc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2)OC(C(=O)OC)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 C21H20O6 MW 368.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20O6/c1-4-25-15-7-5-14(6-8-15)11-19-20(22)17-10-9-16(12-18(17)27-19)26-13(2)21(23)24-3/h5-13H,4H2,1-3H3/b19-11-
InChIKey
PQLBODWTDKPXDH-ODLFYWEKSA-N
Synonyms
623122-88-3
(Z)methyl2((2(4ethoxybenzylidene)3oxo23dihydrobenzofuran6yl)oxy)propanoate
623122883
CCOC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(C)C(=O)OC
CCOc1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2)OC(C(=O)OC)C
InChI=1SC21H20O6c1425157514(6815)111920(22)1710916(1218(17)2719)2613(2)21(23)243h513H4H213H3b1911
methyl2(((2Z)2((4ethoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)propanoate
methyl2(((2Z)2(4ethoxybenzylidene)3oxo23dihydro1benzofuran6yl)oxy)propanoate
METHYL2(2((4ETHOXYPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLOXY)PROPANOATE
MFCD06295936
ZINC000009575442
ZINC000009575443

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.