Vitas-M small molecule compound
4,4'-{[4-(benzyloxy)-3,5-diiodophenyl]methanediyl}bis(3-methyl-1H-pyrazol-5-ol)
Catalog ID
STK050993
SMILES Ic1cc(cc(c1OCc1ccccc1)I)C(c1c(O)[nH]nc1C)c1c(O)[nH]nc1C
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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 C22H20I2N4O3 MW 642.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20I2N4O3/c1-11-17(21(29)27-25-11)19(18-12(2)26-28-22(18)30)14-8-15(23)20(16(24)9-14)31-10-13-6-4-3-5-7-13/h3-9,19H,10H2,1-2H3,(H2,25,27,29)(H2,26,28,30)InChIKey
QCHNXEFTXMOKOL-UHFFFAOYSA-NSynonyms
4((35DIIODO4PHENYLMETHOXYPHENYL)(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)5METHYL12DIHYDROPYRAZOL3ONE
44((4(BENZYLOXY)35DIIODOPHENYL)METHANEDIYL)BIS(3METHYL1HPYRAZOL5OL)
CC1=C(C(=O)NN1)C(C2=CC(=C(C(=C2)I)OCC3=CC=CC=C3)I)C4=C(NNC4=O)C
Ic1cc(cc(c1OCc1ccccc1)I)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
InChI=1SC22H20I2N4O3c11117(21(29)272511)19(1812(2)262822(18)30)14815(23)20(16(24)914)3110136435713h3919H10H212H3(H2252729)(H2262830)
MFCD03272423
STK050993
ZINC000098045002
ZINC98045002
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