Vitas-M small molecule compound
5-methoxy-2-(6'-methoxy-1',3',4',9a'-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4a'(2'H)-yl)phenyl 2,1,3-benzothiadiazole-4-sulfonate
Catalog ID
STK682443
SMILES COc1ccc(c(c1)OS(=O)(=O)c1cccc2c1nsn2)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 C32H34N2O6S2 MW 606.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O6S2/c1-37-21-12-14-23-26(19-21)39-32(18-7-4-11-29(32)31(23)16-5-3-6-17-31)24-15-13-22(38-2)20-27(24)40-42(35,36)28-10-8-9-25-30(28)34-41-33-25/h8-10,12-15,19-20,29H,3-7,11,16-18H2,1-2H3InChIKey
JVFGHEZFQDHMGH-UHFFFAOYSA-NSynonyms
(5methoxy2(6methoxyspiro(2349atetrahydro1Hxanthene91cyclohexane)4ayl)phenyl)213benzothiadiazole4sulfonate
5methoxy2(6methoxy1349atetrahydrospiro(cyclohexane19xanthen)4a(2H)yl)phenyl213benzothiadiazole4sulfonate
COC1=CC2=C(C=C1)C3(CCCCC3)C4CCCCC4(O2)C5=C(C=C(C=C5)OC)OS(=O)(=O)C6=CC=CC7=NSN=C76
InChI=1SC32H34N2O6S2c1372112142326(1921)3932(18741129(32)31(23)165361731)24151322(382)2027(24)4042(3536)2810892530(28)34413325h8101215192029H37111618H212H3
MFCD03855931
ZINC000098005804
ZINC000098005807
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