Vitas-M small molecule compound

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

Catalog ID
STK004212
SMILES [O-][N+](=O)c1cccc(c1)c1ccc(o1)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 C19H17N5O5 MW 395.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N5O5/c1-9-15(18(25)22-20-9)17(16-10(2)21-23-19(16)26)14-7-6-13(29-14)11-4-3-5-12(8-11)24(27)28/h3-8,17H,1-2H3,(H2,20,22,25)(H2,21,23,26)
InChIKey
UHQNDCMQRVZGGC-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cccc(c1)c1ccc(o1)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
44((5(3NITROPHENYL)FURAN2YL)METHANEDIYL)BIS(3METHYL1HPYRAZOL5OL)
5METHYL4((3METHYL5OXO12DIHYDROPYRAZOL4YL)(5(3NITROPHENYL)FURAN2YL)METHYL)12DIHYDROPYRAZOL3ONE
CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=CC(=CC=C3)(N+)(=O)(O))C4=C(NNC4=O)C
InChI=1SC19H17N5O5c1915(18(25)22209)17(1610(2)212319(16)26)147613(2914)1143512(811)24(27)28h3817H12H3(H2202225)(H2212326)
MFCD03992997
STK004212
ZINC000004549677
ZINC04549677
ZINC4549677

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Available files

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