Vitas-M small molecule compound

4,4'-{[5-(3-chlorophenyl)furan-2-yl]methanediyl}bis(3-methyl-1H-pyrazol-5-ol)

Catalog ID
STK075521
SMILES Clc1cccc(c1)c1ccc(o1)C(c1c(C)n[nH]c1O)c1c(C)n[nH]c1O

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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 C19H17ClN4O3 MW 384.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN4O3/c1-9-15(18(25)23-21-9)17(16-10(2)22-24-19(16)26)14-7-6-13(27-14)11-4-3-5-12(20)8-11/h3-8,17H,1-2H3,(H2,21,23,25)(H2,22,24,26)
InChIKey
CWEPOMLISBITJJ-UHFFFAOYSA-N
Synonyms

4((5(3CHLOROPHENYL)2FURANYL)(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)5METHYL12DIHYDROPYRAZOL3ONE
4((5(3CHLOROPHENYL)2FURYL)(3KETO5METHYL3PYRAZOLIN4YL)METHYL)5METHYL3PYRAZOLIN3ONE
4((5(3CHLOROPHENYL)FURAN2YL)(3METHYL5OXIDANYLIDENE12DIHYDROPYRAZOL4YL)METHYL)5METHYL12DIHYDROPYRAZOL3ONE
4((5(3CHLOROPHENYL)FURAN2YL)(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)5METHYL12DIHYDROPYRAZOL3ONE
44((5(3CHLOROPHENYL)FURAN2YL)METHANEDIYL)BIS(3METHYL1HPYRAZOL5OL)
CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=CC(=CC=C3)Cl)C4=C(NNC4=O)C
Clc1cccc(c1)c1ccc(o1)C(c1c(C)n(nH)c1O)c1c(C)n(nH)c1O
InChI=1SC19H17ClN4O3c1915(18(25)23219)17(1610(2)222419(16)26)147613(2714)1143512(20)811h3817H12H3(H2212325)(H2222426)
MFCD03715393
STK075521
ZINC000004540536
ZINC04540536
ZINC20149654
ZINC4540536

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Available files

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