Vitas-M small molecule compound

9-(3-bromophenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

Catalog ID
STK723489
SMILES Brc1cccc(c1)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 C19H17BrO3 MW 373.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrO3/c20-12-5-1-4-11(10-12)17-18-13(21)6-2-8-15(18)23-16-9-3-7-14(22)19(16)17/h1,4-5,10,17H,2-3,6-9H2
InChIKey
PLIDJIBQOLLCGG-UHFFFAOYSA-N
Synonyms
339219-33-9
339219339
9(3bromophenyl)345679hexahydro1Hxanthene18(2H)dione
9(3bromophenyl)345679hexahydro2Hxanthene18dione
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC(=CC=C4)Br)C(=O)C1
InChI=1SC19H17BrO3c201251411(1012)171813(21)62815(18)231693714(22)19(16)17h1451017H2369H2
MFCD00732388
ZINC000000704668
ZINC00704668
ZINC704668

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.