Vitas-M small molecule compound

(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methoxybenzenesulfonate

Catalog ID
STK625433
SMILES COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(cc1)C(C)(C)C)/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 C26H24O6S MW 464.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24O6S/c1-26(2,3)18-7-5-17(6-8-18)15-24-25(27)22-14-11-20(16-23(22)31-24)32-33(28,29)21-12-9-19(30-4)10-13-21/h5-16H,1-4H3/b24-15-
InChIKey
ADMVGELQWJICGE-IWIPYMOSSA-N
Synonyms
929373-04-6
((2Z)2((4tertbutylphenyl)methylidene)3oxo1benzofuran6yl)4methoxybenzenesulfonate
(2Z)2(4tertbutylbenzylidene)3oxo23dihydro1benzofuran6yl4methoxybenzenesulfonate
(Z)2(4(tertbutyl)benzylidene)3oxo23dihydrobenzofuran6yl4methoxybenzenesulfonate
2((4(TERTBUTYL)PHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL4METHOXYBENZENESULFONATE
929373046
CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)OC(=Cc1ccc(cc1)C(C)(C)C)C2=O
InChI=1SC26H24O6Sc126(23)187517(6818)152425(27)22141120(1623(22)3124)3233(2829)2112919(304)101321h516H14H3b2415
MFCD09792963
ZINC000009052109
ZINC09052109
ZINC9052109

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Available files

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