Vitas-M small molecule compound
2-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-tert-butylbenzoate
Catalog ID
STK234814
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)C(C)(C)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 C36H42O6 MW 570.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H42O6/c1-9-40-27-16-22(12-15-26(27)42-33(39)21-10-13-23(14-11-21)34(2,3)4)30-31-24(37)17-35(5,6)19-28(31)41-29-20-36(7,8)18-25(38)32(29)30/h10-16,30H,9,17-20H2,1-8H3InChIKey
FQUSOGRXIODPRX-UHFFFAOYSA-NSynonyms
(2ethoxy4(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)phenyl)4tertbutylbenzoate
2ethoxy4(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)phenyl4tertbutylbenzoate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)OC(=O)C5=CC=C(C=C5)C(C)(C)C
InChI=1SC36H42O6c1940271622(121526(27)4233(39)21101323(141121)34(23)4)303124(37)1735(56)1928(31)41292036(78)1825(38)32(29)30h101630H91720H218H3
MFCD06068760
ZINC000098043453
ZINC98043453
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