Vitas-M small molecule compound
3,3,6,6-tetramethyl-9-[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK330922
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccc3c(c1)COC3=O)C1=C(O2)CC(CC1=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 C29H28O6 MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28O6/c1-28(2)10-18(30)24-22(12-28)35-23-13-29(3,4)11-19(31)25(23)26(24)21-8-7-20(34-21)15-5-6-17-16(9-15)14-33-27(17)32/h5-9,26H,10-14H2,1-4H3InChIKey
XTTVWRBIRHFNEK-UHFFFAOYSA-NSynonyms
3366tetramethyl9(5(1oxo13dihydro2benzofuran5yl)furan2yl)345679hexahydro1Hxanthene18(2H)dione
3366tetramethyl9(5(1oxo3H2benzofuran5yl)furan2yl)4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(O4)C5=CC6=C(C=C5)C(=O)OC6)C(=O)C1)C
InChI=1SC29H28O6c128(2)1018(30)2422(1228)35231329(34)1119(31)25(23)26(24)218720(3421)15561716(915)143327(17)32h5926H1014H214H3
MFCD01359750
ZINC000000707258
ZINC00707258
ZINC707258
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