Vitas-M small molecule compound
9-(4-bromo-3-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK756591
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(c(c1)[N+](=O)[O-])Br)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 C23H24BrNO5 MW 474.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24BrNO5/c1-22(2)8-15(26)20-17(10-22)30-18-11-23(3,4)9-16(27)21(18)19(20)12-5-6-13(24)14(7-12)25(28)29/h5-7,19H,8-11H2,1-4H3InChIKey
BCFMVXQQEZMFRA-UHFFFAOYSA-NSynonyms
9(4bromo3nitrophenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(4bromo3nitrophenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)Br)(N+)(=O)(O))C(=O)C1)C
InChI=1SC23H24BrNO5c122(2)815(26)2017(1022)30181123(34)916(27)21(18)19(20)125613(24)14(712)25(28)29h5719H811H214H3
MFCD00843520
O=C1CC(C)(C)CC2=C1C(c1ccc(c(c1)(N+)(=O)(O))Br)C1=C(O2)CC(CC1=O)(C)C
ZINC000000712031
ZINC00712031
ZINC712031
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