Vitas-M small molecule compound

3,3,6,6-tetramethyl-9-[4-(prop-2-yn-1-yloxy)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

Catalog ID
STK198840
SMILES C#CCOc1ccc(cc1)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/c1-6-11-29-17-9-7-16(8-10-17)22-23-18(27)12-25(2,3)14-20(23)30-21-15-26(4,5)13-19(28)24(21)22/h1,7-10,22H,11-15H2,2-5H3
InChIKey
HKNROVCTQHBSLV-UHFFFAOYSA-N
Synonyms

3366tetramethyl9(4(prop2yn1yloxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
3366tetramethyl9(4prop2ynoxyphenyl)4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(C=C4)OCC#C)C(=O)C1)C
InChI=1SC26H28O4c161129179716(81017)222318(27)1225(23)1420(23)30211526(45)1319(28)24(21)22h171022H1115H225H3
MFCD03707855
ZINC000002999058
ZINC02999058
ZINC2999058

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Available files

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