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 benzoate
Catalog ID
STK150135
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1)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 C32H34O6 MW 514.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34O6/c1-6-36-24-14-20(12-13-23(24)38-30(35)19-10-8-7-9-11-19)27-28-21(33)15-31(2,3)17-25(28)37-26-18-32(4,5)16-22(34)29(26)27/h7-14,27H,6,15-18H2,1-5H3InChIKey
CJTZHVPAVFLFJI-UHFFFAOYSA-NSynonyms
(2ethoxy4(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)phenyl)benzoate
2ethoxy4(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)phenylbenzoate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)OC(=O)C5=CC=CC=C5
InChI=1SC32H34O6c1636241420(121323(24)3830(35)19108791119)272821(33)1531(23)1725(28)37261832(45)1622(34)29(26)27h71427H61518H215H3
MFCD03759409
ZINC000000663850
ZINC00663850
ZINC663850
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