Vitas-M small molecule compound
5-methoxy-2-(6'-methoxy-1',3',4',9a'-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4a'(2'H)-yl)phenyl 5-bromothiophene-2-sulfonate
Catalog ID
STK681829
SMILES COc1ccc(c(c1)OS(=O)(=O)c1ccc(s1)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 C30H33BrO6S2 MW 633.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33BrO6S2/c1-34-20-9-11-22-24(18-20)36-30(17-7-4-8-26(30)29(22)15-5-3-6-16-29)23-12-10-21(35-2)19-25(23)37-39(32,33)28-14-13-27(31)38-28/h9-14,18-19,26H,3-8,15-17H2,1-2H3InChIKey
OFQFXBNBAFMJCC-UHFFFAOYSA-NSynonyms
(5methoxy2(6methoxyspiro(2349atetrahydro1Hxanthene91cyclohexane)4ayl)phenyl)5bromothiophene2sulfonate
5methoxy2(6methoxy1349atetrahydrospiro(cyclohexane19xanthen)4a(2H)yl)phenyl5bromothiophene2sulfonate
COC1=CC2=C(C=C1)C3(CCCCC3)C4CCCCC4(O2)C5=C(C=C(C=C5)OC)OS(=O)(=O)C6=CC=C(S6)Br
InChI=1SC30H33BrO6S2c134209112224(1820)3630(1774826(30)29(22)155361629)23121021(352)1925(23)3739(3233)28141327(31)3828h914181926H381517H212H3
MFCD03820217
ZINC000098005261
ZINC000098005264
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