Vitas-M small molecule compound

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

Catalog ID
STK992326
SMILES O=C1/C(=C/c2ccc(cc2)C(C)(C)C)/Oc2c1ccc(c2)OS(=O)(=O)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 C20H20O5S MW 372.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20O5S/c1-20(2,3)14-7-5-13(6-8-14)11-18-19(21)16-10-9-15(12-17(16)24-18)25-26(4,22)23/h5-12H,1-4H3/b18-11-
InChIKey
AMFSZDLQRWNDPO-WQRHYEAKSA-N
Synonyms
622813-18-7
((2Z)2((4TERTBUTYLPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)METHANESULFONATE
(2Z)2(4tertbutylbenzylidene)3oxo23dihydro1benzofuran6ylmethanesulfonate
(Z)2(4(tertbutyl)benzylidene)3oxo23dihydrobenzofuran6ylmethanesulfonate
2((4(TERTBUTYL)PHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLMETHYLSULFONATE
622813187
CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C
InChI=1SC20H20O5Sc120(23)147513(6814)111819(21)1610915(1217(16)2418)2526(422)23h512H14H3b1811
MFCD04187526
O=C1C(=Cc2ccc(cc2)C(C)(C)C)Oc2c1ccc(c2)OS(=O)(=O)C
ZINC000013653686
ZINC13653686

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Available files

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