Vitas-M small molecule compound

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

Catalog ID
STK198805
SMILES C#CCOc1ccc(cc1Br)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2

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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 C22H19BrO4 MW 427.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrO4/c1-2-11-26-17-10-9-13(12-14(17)23)20-21-15(24)5-3-7-18(21)27-19-8-4-6-16(25)22(19)20/h1,9-10,12,20H,3-8,11H2
InChIKey
YOTSYAWGKHKCOA-UHFFFAOYSA-N
Synonyms

9(3bromo4(prop2yn1yloxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
9(3bromo4prop2ynoxyphenyl)345679hexahydro2Hxanthene18dione
C#CCOC1=C(C=C(C=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)Br
InChI=1SC22H19BrO4c1211261710913(1214(17)23)202115(24)53718(21)271984616(25)22(19)20h19101220H3811H2
MFCD03708034
ZINC000002999599
ZINC02999599
ZINC2999599

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Available files

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