Vitas-M small molecule compound

N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-3,5-dinitrobenzamide

Catalog ID
STK453848
SMILES O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])Nc1ccn(n1)Cc1c(F)cccc1Cl

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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 C17H11ClFN5O5 MW 419.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11ClFN5O5/c18-14-2-1-3-15(19)13(14)9-22-5-4-16(21-22)20-17(25)10-6-11(23(26)27)8-12(7-10)24(28)29/h1-8H,9H2,(H,20,21,25)
InChIKey
SQYPDHFSTDQBPH-UHFFFAOYSA-N
Synonyms

(35DINITROPHENYL)N(1((2CHLORO6FLUOROPHENYL)METHYL)PYRAZOL3YL)CARBOXAMIDE
C1=CC(=C(C(=C1)Cl)CN2C=CC(=N2)NC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O))F
InChI=1SC17H11ClFN5O5c181421315(19)13(14)9225416(2122)2017(25)10611(23(26)27)812(710)24(28)29h18H9H2(H202125)
MFCD03072251
N(1((2CHLORO6FLUOROPHENYL)METHYL)PYRAZOL3YL)35DINITROBENZAMIDE
N(1(2chloro6fluorobenzyl)1Hpyrazol3yl)35dinitrobenzamide
O=C(c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))Nc1ccn(n1)Cc1c(F)cccc1Cl
ZINC000002764165
ZINC02764165
ZINC2764165

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Available files

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