Vitas-M small molecule compound
methyl (2Z)-2-(3-ethoxy-4-propoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Catalog ID
STK819760
SMILES CCCOc1ccc(cc1OCC)/C=C/1\Oc2c(C1=O)cc(cc2)C(=O)OC
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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 C22H22O6 MW 382.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22O6/c1-4-10-27-18-8-6-14(11-19(18)26-5-2)12-20-21(23)16-13-15(22(24)25-3)7-9-17(16)28-20/h6-9,11-13H,4-5,10H2,1-3H3/b20-12-InChIKey
QIJIXAJOACZAFM-NDENLUEZSA-NSynonyms
CCCOC1=C(C=C(C=C1)C=C2C(=O)C3=C(O2)C=CC(=C3)C(=O)OC)OCC
CCCOc1ccc(cc1OCC)C=C1Oc2c(C1=O)cc(cc2)C(=O)OC
InChI=1SC22H22O6c141027188614(1119(18)2652)122021(23)161315(22(24)253)7917(16)2820h691113H4510H213H3b2012
methyl(2Z)2((3ethoxy4propoxyphenyl)methylidene)3oxo1benzofuran5carboxylate
methyl(2Z)2(3ethoxy4propoxybenzylidene)3oxo23dihydro1benzofuran5carboxylate
METHYL2((3ETHOXY4PROPOXYPHENYL)METHYLENE)3OXOBENZO(B)FURAN5CARBOXYLATE
MFCD04448610
ZINC000005047908
ZINC05047908
ZINC5047908
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