Vitas-M small molecule compound
(2Z)-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methoxybenzenesulfonate
Catalog ID
STK992785
SMILES COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1OC)/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 C25H20O7S MW 464.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20O7S/c1-29-18-10-13-20(14-11-18)33(27,28)32-19-12-15-21-24(16-19)31-23(25(21)26)9-5-7-17-6-3-4-8-22(17)30-2/h3-16H,1-2H3/b7-5+,23-9-InChIKey
BSIJXGYJAZDUNQ-JLAGCLJESA-NSynonyms
929434-30-0((2Z)2((E)3(2methoxyphenyl)prop2enylidene)3oxo1benzofuran6yl)4methoxybenzenesulfonate
(2Z)2((2E)3(2methoxyphenyl)prop2en1ylidene)3oxo23dihydro1benzofuran6yl4methoxybenzenesulfonate
(Z)2((E)3(2methoxyphenyl)allylidene)3oxo23dihydrobenzofuran6yl4methoxybenzenesulfonate
2((2E)3(2METHOXYPHENYL)PROP2ENYLIDENE)3OXOBENZO(34B)FURAN6YL4METHOXYBENZENESULFONATE
929434300
COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC=CC4=CC=CC=C4OC)O3
COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1OC)C2=O
InChI=1SC25H20O7Sc12918101320(141118)33(2728)321912152124(1619)3123(25(21)26)95717634822(17)302h316H12H3b75+239
MFCD09845057
ZINC000009485378
ZINC09485378
ZINC9485378
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