Vitas-M small molecule compound
2,2'-[(3-nitrophenyl)methanediyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
Catalog ID
STK150141
SMILES OC1=C(C(=O)CC(C1)(C)C)C(C1=C(O)CC(CC1=O)(C)C)c1cccc(c1)[N+](=O)[O-]
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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 C23H27NO6 MW 413.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO6/c1-22(2)9-15(25)20(16(26)10-22)19(13-6-5-7-14(8-13)24(29)30)21-17(27)11-23(3,4)12-18(21)28/h5-8,19,25,27H,9-12H2,1-4H3InChIKey
VEVBBTPUASDSMY-UHFFFAOYSA-NSynonyms
22((3NITROPHENYL)METHANEDIYL)BIS(3HYDROXY55DIMETHYLCYCLOHEX2EN1ONE)
22(3NITROPHENYLMETHYLENE)BIS(3HYDROXY55DIMETHYL2CYCLOHEXENE1ONE)
3HYDROXY2((2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)(3NITROPHENYL)METHYL)55DIMETHYLCYCLOHEX2EN1ONE
CC1(CC(=C(C(=O)C1)C(C2=CC(=CC=C2)(N+)(=O)(O))C3=C(CC(CC3=O)(C)C)O)O)C
InChI=1SC23H27NO6c122(2)915(25)20(16(26)1022)19(1365714(813)24(29)30)2117(27)1123(34)1218(21)28h58192527H912H214H3
MFCD00521053
OC1=C(C(=O)CC(C1)(C)C)C(C1=C(O)CC(CC1=O)(C)C)c1cccc(c1)(N+)(=O)(O)
ZINC000005464730
ZINC5464730
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.