Vitas-M small molecule compound

4,4'-[(2-methoxynaphthalen-1-yl)methanediyl]bis(3-methyl-1H-pyrazol-5-ol)

Catalog ID
STK072845
SMILES COc1ccc2c(c1C(c1c(O)[nH]nc1C)c1c(O)[nH]nc1C)cccc2

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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 C20H20N4O3 MW 364.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3/c1-10-15(19(25)23-21-10)18(16-11(2)22-24-20(16)26)17-13-7-5-4-6-12(13)8-9-14(17)27-3/h4-9,18H,1-3H3,(H2,21,23,25)(H2,22,24,26)
InChIKey
FVVUBCDNUOBUHC-UHFFFAOYSA-N
Synonyms

4((2METHOXYNAPHTHALEN1YL)(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)5METHYL12DIHYDROPYRAZOL3ONE
4((5HYDROXY3METHYLPYRAZOL4YL)(2METHOXYNAPHTHYL)METHYL)3METHYLPYRAZOL5OL
44((2METHOXYNAPHTHALEN1YL)METHANEDIYL)BIS(3METHYL1HPYRAZOL5OL)
CC1=C(C(=O)NN1)C(C2=C(NNC2=O)C)C3=C(C=CC4=CC=CC=C43)OC
COc1ccc2c(c1C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C)cccc2
InChI=1SC20H20N4O3c11015(19(25)232110)18(1611(2)222420(16)26)1713754612(13)8914(17)273h4918H13H3(H2212325)(H2222426)
MFCD03119398
STK072845
ZINC000004113137
ZINC04113137
ZINC4113137

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Available files

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