Vitas-M small molecule compound
2-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)benzoic acid
Catalog ID
STK672285
SMILES O=C1CC(C)(C)CC2=C1C(C1=C(O2)CC(CC1=O)(C)C)c1ccccc1C(=O)O
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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 C24H26O5 MW 394.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26O5/c1-23(2)9-15(25)20-17(11-23)29-18-12-24(3,4)10-16(26)21(18)19(20)13-7-5-6-8-14(13)22(27)28/h5-8,19H,9-12H2,1-4H3,(H,27,28)InChIKey
NQLIEPMKKORARM-UHFFFAOYSA-NSynonyms
2(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)benzoicacid
2(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)benzoicacid
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=CC=C4C(=O)O)C(=O)C1)C
InChI=1SC24H26O5c123(2)915(25)2017(1123)29181224(34)1016(26)21(18)19(20)13756814(13)22(27)28h5819H912H214H3(H2728)
MFCD00823637
ZINC000004134303
ZINC4134303
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