Vitas-M small molecule compound
4,4'-[(4-chloro-3-nitrophenyl)methanediyl]bis(3-methyl-1H-pyrazol-5-ol)
Catalog ID
STK110965
SMILES [O-][N+](=O)c1cc(ccc1Cl)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 C15H14ClN5O4 MW 363.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14ClN5O4/c1-6-11(14(22)19-17-6)13(12-7(2)18-20-15(12)23)8-3-4-9(16)10(5-8)21(24)25/h3-5,13H,1-2H3,(H2,17,19,22)(H2,18,20,23)InChIKey
SMNMURMFSLUFNH-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(ccc1Cl)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
4((4CHLORO3NITROPHENYL)(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)5METHYL12DIHYDROPYRAZOL3ONE
44((4CHLORO3NITROPHENYL)METHANEDIYL)BIS(3METHYL1HPYRAZOL5OL)
CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)Cl)(N+)(=O)(O))C3=C(NNC3=O)C
InChI=1SC15H14ClN5O4c1611(14(22)19176)13(127(2)182015(12)23)8349(16)10(58)21(24)25h3513H12H3(H2171922)(H2182023)
MFCD04127728
ZINC000004678091
ZINC04678091
ZINC4678091
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