Vitas-M small molecule compound
9-[4-(benzyloxy)-3-ethoxyphenyl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK105590
SMILES CCOc1cc(ccc1OCc1ccccc1)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/c1-6-35-25-14-21(12-13-24(25)36-19-20-10-8-7-9-11-20)28-29-22(33)15-31(2,3)17-26(29)37-27-18-32(4,5)16-23(34)30(27)28/h7-14,28H,6,15-19H2,1-5H3InChIKey
SCLKKAJBUXLWRZ-UHFFFAOYSA-NSynonyms
9(3ethoxy4phenylmethoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
9(4(benzyloxy)3ethoxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)OCC5=CC=CC=C5
InChI=1SC32H36O5c1635251421(121324(25)361920108791120)282922(33)1531(23)1726(29)37271832(45)1623(34)30(27)28h71428H61519H215H3
MFCD01963954
ZINC000002967183
ZINC02967183
ZINC2967183
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