Vitas-M small molecule compound
4,4'-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methanediyl}bis(3-methyl-1H-pyrazol-5-ol)
Catalog ID
STK008448
SMILES Clc1ccc(c(c1)[N+](=O)[O-])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 C19H16ClN5O5 MW 429.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN5O5/c1-8-15(18(26)23-21-8)17(16-9(2)22-24-19(16)27)14-6-5-13(30-14)11-4-3-10(20)7-12(11)25(28)29/h3-7,17H,1-2H3,(H2,21,23,26)(H2,22,24,27)InChIKey
MLIUIYQLCHGYAC-UHFFFAOYSA-NSynonyms
4((5(4CHLORO2NITROPHENYL)FURAN2YL)(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)5METHYL12DIHYDROPYRAZOL3ONE
44((5(4CHLORO2NITROPHENYL)FURAN2YL)METHANEDIYL)BIS(3METHYL1HPYRAZOL5OL)
CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=C(C=C(C=C3)Cl)(N+)(=O)(O))C4=C(NNC4=O)C
Clc1ccc(c(c1)(N+)(=O)(O))c1ccc(o1)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
InChI=1SC19H16ClN5O5c1815(18(26)23218)17(169(2)222419(16)27)146513(3014)114310(20)712(11)25(28)29h3717H12H3(H2212326)(H2222427)
MFCD03555116
STK008448
ZINC000008916474
ZINC08916474
ZINC8916474
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