Vitas-M small molecule compound
9-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK759756
SMILES COc1cc(cc2c1oc(=O)s2)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)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 C25H26O6S MW 454.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26O6S/c1-24(2)8-13(26)20-16(10-24)30-17-11-25(3,4)9-14(27)21(17)19(20)12-6-15(29-5)22-18(7-12)32-23(28)31-22/h6-7,19H,8-11H2,1-5H3InChIKey
IZKNYYPDSRGIFQ-UHFFFAOYSA-NSynonyms
9(7methoxy2oxo13benzoxathiol5yl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(7methoxy2oxo13benzoxathiol5yl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C5C(=C4)SC(=O)O5)OC)C(=O)C1)C
InChI=1SC25H26O6Sc124(2)813(26)2016(1024)30171125(34)914(27)21(17)19(20)12615(295)2218(712)3223(28)3122h6719H811H215H3
MFCD01572668
ZINC000000716599
ZINC00716599
ZINC716599
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