Vitas-M small molecule compound
5-methoxy-2-(6'-methoxy-1',3',4',9a'-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4a'(2'H)-yl)phenyl thiophene-2-sulfonate
Catalog ID
STK681966
SMILES COc1ccc(c(c1)OS(=O)(=O)c1cccs1)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 C30H34O6S2 MW 554.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34O6S2/c1-33-21-11-13-23-25(19-21)35-30(17-7-4-9-27(30)29(23)15-5-3-6-16-29)24-14-12-22(34-2)20-26(24)36-38(31,32)28-10-8-18-37-28/h8,10-14,18-20,27H,3-7,9,15-17H2,1-2H3InChIKey
YDHFZUWZDARWKT-UHFFFAOYSA-NSynonyms
(5methoxy2(6methoxyspiro(2349atetrahydro1Hxanthene91cyclohexane)4ayl)phenyl)thiophene2sulfonate
5methoxy2(6methoxy1349atetrahydrospiro(cyclohexane19xanthen)4a(2H)yl)phenylthiophene2sulfonate
COC1=CC2=C(C=C1)C3(CCCCC3)C4CCCCC4(O2)C5=C(C=C(C=C5)OC)OS(=O)(=O)C6=CC=CS6
InChI=1SC30H34O6S2c1332111132325(1921)3530(1774927(30)29(23)155361629)24141222(342)2026(24)3638(3132)28108183728h81014182027H3791517H212H3
MFCD03820795
ZINC000098005755
ZINC000098005758
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