Vitas-M small molecule compound
methyl 4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)benzoate
Catalog ID
STK110657
SMILES COC(=O)c1ccc(cc1)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 C25H28O5 MW 408.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28O5/c1-24(2)10-16(26)21-18(12-24)30-19-13-25(3,4)11-17(27)22(19)20(21)14-6-8-15(9-7-14)23(28)29-5/h6-9,20H,10-13H2,1-5H3InChIKey
YFMFDOQYINRNRW-UHFFFAOYSA-NSynonyms
40588-55-440588554
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(C=C4)C(=O)OC)C(=O)C1)C
InChI=1SC25H28O5c124(2)1016(26)2118(1224)30191325(34)1117(27)22(19)20(21)146815(9714)23(28)295h6920H1013H215H3
methyl4(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)benzoate
methyl4(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)benzoate
MFCD00342724
ZINC000002474060
ZINC02474060
ZINC2474060
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Check stock on Vitas-MAvailable files
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