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 2-fluorobenzoate
Catalog ID
STK143651
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1F)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 C32H33FO6 MW 532.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33FO6/c1-6-37-24-13-18(11-12-23(24)39-30(36)19-9-7-8-10-20(19)33)27-28-21(34)14-31(2,3)16-25(28)38-26-17-32(4,5)15-22(35)29(26)27/h7-13,27H,6,14-17H2,1-5H3InChIKey
KVWPWVCWNRMONJ-UHFFFAOYSA-NSynonyms
(2ethoxy4(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)phenyl)2fluorobenzoate
2ethoxy4(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)phenyl2fluorobenzoate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)OC(=O)C5=CC=CC=C5F
InChI=1SC32H33FO6c1637241318(111223(24)3930(36)199781020(19)33)272821(34)1431(23)1625(28)38261732(45)1522(35)29(26)27h71327H61417H215H3
MFCD06067907
ZINC000013880296
ZINC13880296
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