Vitas-M small molecule compound
N-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2,4-dinitrobenzamide
Catalog ID
STK451540
SMILES Cc1nn(c(c1NC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C)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 C19H15ClFN5O5 MW 447.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClFN5O5/c1-10-18(11(2)24(23-10)9-14-15(20)4-3-5-16(14)21)22-19(27)13-7-6-12(25(28)29)8-17(13)26(30)31/h3-8H,9H2,1-2H3,(H,22,27)InChIKey
YRTSYWDQUWZTFU-UHFFFAOYSA-NSynonyms
(24DINITROPHENYL)N(1((6CHLORO2FLUOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)CARBOXAMIDE
CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)NC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
Cc1nn(c(c1NC(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C)Cc1c(F)cccc1Cl
InChI=1SC19H15ClFN5O5c11018(11(2)24(2310)91415(20)43516(14)21)2219(27)137612(25(28)29)817(13)26(30)31h38H9H212H3(H2227)
MFCD03758056
N(1((2CHLORO6FLUOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)24DINITROBENZAMIDE
N(1(2chloro6fluorobenzyl)35dimethyl1Hpyrazol4yl)24dinitrobenzamide
ZINC000002102994
ZINC02102994
ZINC2102994
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