Vitas-M small molecule compound
9-{3-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STL426934
SMILES COc1cc(ccc1OCc1cccc(c1)C)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 C32H36O5 MW 500.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36O5/c1-19-8-7-9-20(12-19)18-36-24-11-10-21(13-25(24)35-6)28-29-22(33)14-31(2,3)16-26(29)37-27-17-32(4,5)15-23(34)30(27)28/h7-13,28H,14-18H2,1-6H3InChIKey
QRGSWXSMMXAFNI-UHFFFAOYSA-NSynonyms
9(3methoxy4((3methylbenzyl)oxy)phenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(3methoxy4((3methylphenyl)methoxy)phenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1=CC(=CC=C1)COC2=C(C=C(C=C2)C3C4=C(CC(CC4=O)(C)C)OC5=C3C(=O)CC(C5)(C)C)OC
InChI=1SC32H36O5c11987920(1219)183624111021(1325(24)356)282922(33)1431(23)1626(29)37271732(45)1523(34)30(27)28h71328H1418H216H3
MFCD06067933
ZINC000020034835
ZINC20034835
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