Vitas-M small molecule compound
3,3,6,6-tetramethyl-9-[3-(prop-2-yn-1-yloxy)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198827
SMILES C#CCOc1cccc(c1)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=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 C26H28O4 MW 404.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28O4/c1-6-10-29-17-9-7-8-16(11-17)22-23-18(27)12-25(2,3)14-20(23)30-21-15-26(4,5)13-19(28)24(21)22/h1,7-9,11,22H,10,12-15H2,2-5H3InChIKey
YNIZMHYEKSOINJ-UHFFFAOYSA-NSynonyms
3366tetramethyl9(3(prop2yn1yloxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
3366tetramethyl9(3prop2ynoxyphenyl)4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=CC=C4)OCC#C)C(=O)C1)C
InChI=1SC26H28O4c1610291797816(1117)222318(27)1225(23)1420(23)30211526(45)1319(28)24(21)22h1791122H101215H225H3
MFCD03708188
ZINC000003000059
ZINC03000059
ZINC3000059
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