Vitas-M small molecule compound
4,4'-[(3-iodophenyl)methanediyl]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Catalog ID
STK752574
SMILES Ic1cccc(c1)C(c1c(C)n(n(c1=O)c1ccccc1)C)c1c(C)n(n(c1=O)c1ccccc1)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 C29H27IN4O2 MW 590.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27IN4O2/c1-19-25(28(35)33(31(19)3)23-14-7-5-8-15-23)27(21-12-11-13-22(30)18-21)26-20(2)32(4)34(29(26)36)24-16-9-6-10-17-24/h5-18,27H,1-4H3InChIKey
HJXNTQNREDJRJP-UHFFFAOYSA-NSynonyms
4((15DIMETHYL3OXO2PHENYLPYRAZOL4YL)(3IODOPHENYL)METHYL)15DIMETHYL2PHENYLPYRAZOL3ONE
44((3IODOPHENYL)METHANEDIYL)BIS(15DIMETHYL2PHENYL12DIHYDRO3HPYRAZOL3ONE)
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=CC=C3)I)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C
InChI=1SC29H27IN4O2c11925(28(35)33(31(19)3)23147581523)27(2112111322(30)1821)2620(2)32(4)34(29(26)36)241696101724h51827H14H3
MFCD00813417
ZINC000004427996
ZINC4427996
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