Vitas-M small molecule compound
9-(phenylethynyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK032447
SMILES O=C1CCCC2=C1C(C#Cc1ccccc1)C1=C(O2)CCCC1=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 C21H18O3 MW 318.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18O3/c22-16-8-4-10-18-20(16)15(13-12-14-6-2-1-3-7-14)21-17(23)9-5-11-19(21)24-18/h1-3,6-7,15H,4-5,8-11H2InChIKey
SFULQBFKIRZAFC-UHFFFAOYSA-NSynonyms
16807-57-116807571
9(2phenylethynyl)345679hexahydro2Hxanthene18dione
9(phenylethynyl)345679hexahydro1Hxanthene18(2H)dione
C1CC2=C(C(C3=C(O2)CCCC3=O)C#CC4=CC=CC=C4)C(=O)C1
InChI=1SC21H18O3c221684101820(16)15(1312146213714)2117(23)951119(21)2418h136715H45811H2
MFCD00775526
O=C1CCCC2=C1C(C#Cc1ccccc1)C1=C(O2)CCCC1=O
STK032447
ZINC000000055465
ZINC00055465
ZINC55465
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