Vitas-M small molecule compound
3,3,6,6-tetramethyl-9-(naphthalen-1-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK751394
SMILES O=C1CC(C)(C)CC2=C1C(C1=C(O2)CC(CC1=O)(C)C)c1cccc2c1cccc2
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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 C27H28O3 MW 400.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28O3/c1-26(2)12-19(28)24-21(14-26)30-22-15-27(3,4)13-20(29)25(22)23(24)18-11-7-9-16-8-5-6-10-17(16)18/h5-11,23H,12-15H2,1-4H3InChIKey
IKGWFQIPTRGDHZ-UHFFFAOYSA-NSynonyms
3366tetramethyl9(naphthalen1yl)345679hexahydro1Hxanthene18(2H)dione
3366tetramethyl9naphthalen1yl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=CC5=CC=CC=C54)C(=O)C1)C
InChI=1SC27H28O3c126(2)1219(28)2421(1426)30221527(34)1320(29)25(22)23(24)181179168561017(16)18h51123H1215H214H3
MFCD00588639
ZINC000000752368
ZINC00752368
ZINC752368
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