Vitas-M small molecule compound
5-methoxy-2-(6'-methoxy-1',3',4',9a'-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4a'(2'H)-yl)phenyl 4-bromobenzenesulfonate
Catalog ID
STK681830
SMILES COc1ccc(c(c1)OS(=O)(=O)c1ccc(cc1)Br)C12CCCCC2C2(c3c(O1)cc(OC)cc3)CCCCC2
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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 C32H35BrO6S MW 627.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35BrO6S/c1-36-23-11-15-26-28(20-23)38-32(19-7-4-8-30(32)31(26)17-5-3-6-18-31)27-16-12-24(37-2)21-29(27)39-40(34,35)25-13-9-22(33)10-14-25/h9-16,20-21,30H,3-8,17-19H2,1-2H3InChIKey
GQWWLKVNDMNIRO-UHFFFAOYSA-NSynonyms
(5methoxy2(6methoxyspiro(2349atetrahydro1Hxanthene91cyclohexane)4ayl)phenyl)4bromobenzenesulfonate
5methoxy2(6methoxy1349atetrahydrospiro(cyclohexane19xanthen)4a(2H)yl)phenyl4bromobenzenesulfonate
COC1=CC2=C(C=C1)C3(CCCCC3)C4CCCCC4(O2)C5=C(C=C(C=C5)OC)OS(=O)(=O)C6=CC=C(C=C6)Br
InChI=1SC32H35BrO6Sc1362311152628(2023)3832(1974830(32)31(26)175361831)27161224(372)2129(27)3940(3435)2513922(33)101425h916202130H381719H212H3
MFCD03820218
ZINC000098005265
ZINC000098005268
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