Vitas-M small molecule compound

2,2'-[(3-nitrophenyl)methanediyl]bis(5-phenylcyclohexane-1,3-dione)

Catalog ID
STK016503
SMILES O=C1CC(CC(=O)C1C(C1C(=O)CC(CC1=O)c1ccccc1)c1cccc(c1)[N+](=O)[O-])c1ccccc1

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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 C31H27NO6 MW 509.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27NO6/c33-25-15-22(19-8-3-1-4-9-19)16-26(34)30(25)29(21-12-7-13-24(14-21)32(37)38)31-27(35)17-23(18-28(31)36)20-10-5-2-6-11-20/h1-14,22-23,29-31H,15-18H2
InChIKey
HSBGHLFKMSAMLT-UHFFFAOYSA-N
Synonyms
302903-42-0
2((26DIOXO4PHENYLCYCLOHEXYL)(3NITROPHENYL)METHYL)5PHENYLCYCLOHEXANE13DIONE
22((3NITROPHENYL)METHANEDIYL)BIS(5PHENYLCYCLOHEXANE13DIONE)
22((3nitrophenyl)methylene)bis(5phenylcyclohexane13dione)
302903420
C1C(CC(=O)C(C1=O)C(C2C(=O)CC(CC2=O)C3=CC=CC=C3)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=CC=C5
InChI=1SC31H27NO6c33251522(198314919)1626(34)30(25)29(211271324(1421)32(37)38)3127(35)1723(1828(31)36)20105261120h11422232931H1518H2
MFCD00305531
O=C1CC(CC(=O)C1C(C1C(=O)CC(CC1=O)c1ccccc1)c1cccc(c1)(N+)(=O)(O))c1ccccc1
STK016503
ZINC000100672082
ZINC100672082

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Available files

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