Vitas-M small molecule compound
2-(3,3-dimethyl-7-nitro-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK677072
SMILES O=C1CC(C)(C)CC(=O)C1C1C2=C(Oc3c1cc(cc3)[N+](=O)[O-])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 C23H25NO6 MW 411.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO6/c1-22(2)8-14(25)20(15(26)9-22)19-13-7-12(24(28)29)5-6-17(13)30-18-11-23(3,4)10-16(27)21(18)19/h5-7,19-20H,8-11H2,1-4H3InChIKey
HPRTZYUKPYEWFQ-UHFFFAOYSA-NSynonyms
2(33dimethyl7nitro1oxo2349tetrahydro1Hxanthen9yl)55dimethylcyclohexane13dione
2(33DIMETHYL7NITRO1OXO49DIHYDRO2HXANTHEN9YL)55DIMETHYLCYCLOHEXANE13DIONE
CC1(CC(=O)C(C(=O)C1)C2C3=C(C=CC(=C3)(N+)(=O)(O))OC4=C2C(=O)CC(C4)(C)C)C
InChI=1SC23H25NO6c122(2)814(25)20(15(26)922)1913712(24(28)29)5617(13)30181123(34)1016(27)21(18)19h571920H811H214H3
MFCD01241772
O=C1CC(C)(C)CC(=O)C1C1C2=C(Oc3c1cc(cc3)(N+)(=O)(O))CC(CC2=O)(C)C
ZINC000100150159
ZINC000100150161
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