Vitas-M small molecule compound
3,3,6,6-tetramethyl-9-[4-(phenylethynyl)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK234917
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)C#Cc1ccccc1)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 C31H30O3 MW 450.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30O3/c1-30(2)16-23(32)28-25(18-30)34-26-19-31(3,4)17-24(33)29(26)27(28)22-14-12-21(13-15-22)11-10-20-8-6-5-7-9-20/h5-9,12-15,27H,16-19H2,1-4H3InChIKey
VTQZWKMOLSNBDZ-UHFFFAOYSA-NSynonyms
3366tetramethyl9(4(2phenylethynyl)phenyl)4579tetrahydro2Hxanthene18dione
3366tetramethyl9(4(phenylethynyl)phenyl)345679hexahydro1Hxanthene18(2H)dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(C=C4)C#CC5=CC=CC=C5)C(=O)C1)C
InChI=1SC31H30O3c130(2)1623(32)2825(1830)34261931(34)1724(33)29(26)27(28)22141221(131522)1110208657920h59121527H1619H214H3
MFCD01461890
ZINC000008425005
ZINC08425005
ZINC8425005
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