Vitas-M small molecule compound
N-[4-chloro-1-(2-fluorobenzyl)-1H-pyrazol-3-yl]-4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Catalog ID
STK311367
SMILES O=C(c1ccc(cc1)Cn1cc(c(n1)[N+](=O)[O-])Cl)Nc1nn(cc1Cl)Cc1ccccc1F
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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 C21H15Cl2FN6O3 MW 489.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15Cl2FN6O3/c22-16-11-29(10-15-3-1-2-4-18(15)24)26-19(16)25-21(31)14-7-5-13(6-8-14)9-28-12-17(23)20(27-28)30(32)33/h1-8,11-12H,9-10H2,(H,25,26,31)InChIKey
HECRWMLOMCWLQM-UHFFFAOYSA-NSynonyms
1005688-49-21005688492
C1=CC=C(C(=C1)CN2C=C(C(=N2)NC(=O)C3=CC=C(C=C3)CN4C=C(C(=N4)(N+)(=O)(O))Cl)Cl)F
InChI=1SC21H15Cl2FN6O3c22161129(1015312418(15)24)2619(16)2521(31)147513(6814)9281217(23)20(2728)30(32)33h181112H910H2(H252631)
MFCD04137677
N(4chloro1((2fluorophenyl)methyl)pyrazol3yl)4((4chloro3nitropyrazol1yl)methyl)benzamide
N(4chloro1(2fluorobenzyl)1Hpyrazol3yl)4((4chloro3nitro1Hpyrazol1yl)methyl)benzamide
O=C(c1ccc(cc1)Cn1cc(c(n1)(N+)(=O)(O))Cl)Nc1nn(cc1Cl)Cc1ccccc1F
ZINC000002809164
ZINC02809164
ZINC2809164
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