Vitas-M small molecule compound

4-hydroxy-2,6-bis(3-nitrophenyl)-4-phenyl-3-(phenylcarbonyl)cyclohexane-1,1-dicarbonitrile

Catalog ID
STK663928
SMILES N#CC1(C#N)C(CC(C(C1c1cccc(c1)[N+](=O)[O-])C(=O)c1ccccc1)(O)c1ccccc1)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 C33H24N4O6 MW 572.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H24N4O6/c34-20-32(21-35)28(23-11-7-15-26(17-23)36(40)41)19-33(39,25-13-5-2-6-14-25)30(31(38)22-9-3-1-4-10-22)29(32)24-12-8-16-27(18-24)37(42)43/h1-18,28-30,39H,19H2
InChIKey
PKRFHEJESMAXTQ-UHFFFAOYSA-N
Synonyms

3BENZOYL4HYDROXY26BIS(3NITROPHENYL)4PHENYLCYCLOHEXANE11DICARBONITRILE
4hydroxy26bis(3nitrophenyl)4phenyl3(phenylcarbonyl)cyclohexane11dicarbonitrile
C1C(C(C(C(C1(C2=CC=CC=C2)O)C(=O)C3=CC=CC=C3)C4=CC(=CC=C4)(N+)(=O)(O))(C#N)C#N)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC33H24N4O6c342032(2135)28(231171526(1723)36(40)41)1933(3925135261425)30(31(38)2293141022)29(32)241281627(1824)37(42)43h118283039H19H2
MFCD01204155
N#CC1(C#N)C(CC(C(C1c1cccc(c1)(N+)(=O)(O))C(=O)c1ccccc1)(O)c1ccccc1)c1cccc(c1)(N+)(=O)(O)
ZINC000033355343
ZINC000100064301

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Available files

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