Vitas-M small molecule compound

4,4'-({4-[(3,4-dichlorobenzyl)oxy]-3-methoxyphenyl}methanediyl)bis(3-methyl-1H-pyrazol-5-ol)

Catalog ID
STK139270
SMILES COc1cc(ccc1OCc1ccc(c(c1)Cl)Cl)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 C23H22Cl2N4O4 MW 489.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22Cl2N4O4/c1-11-19(22(30)28-26-11)21(20-12(2)27-29-23(20)31)14-5-7-17(18(9-14)32-3)33-10-13-4-6-15(24)16(25)8-13/h4-9,21H,10H2,1-3H3,(H2,26,28,30)(H2,27,29,31)
InChIKey
ZFRLCASTHKHIHT-UHFFFAOYSA-N
Synonyms
900085-40-7
4((4((34DICHLOROPHENYL)METHOXY)3METHOXYPHENYL)(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)5METHYL12DIHYDROPYRAZOL3ONE
44((4((34DICHLOROBENZYL)OXY)3METHOXYPHENYL)METHANEDIYL)BIS(3METHYL1HPYRAZOL5OL)
44((4((34dichlorobenzyl)oxy)3methoxyphenyl)methylene)bis(3methyl1Hpyrazol5ol)
900085407
CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OCC3=CC(=C(C=C3)Cl)Cl)OC)C4=C(NNC4=O)C
COc1cc(ccc1OCc1ccc(c(c1)Cl)Cl)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
InChI=1SC23H22Cl2N4O4c11119(22(30)282611)21(2012(2)272923(20)31)145717(18(914)323)3310134615(24)16(25)813h4921H10H213H3(H2262830)(H2272931)
MFCD03297439
ZINC000019842941
ZINC19842941

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Available files

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