Vitas-M small molecule compound
N-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-4-chloro-5-nitro-1H-pyrazole-3-carboxamide
Catalog ID
STK967817
SMILES O=C(c1n[nH]c(c1Cl)[N+](=O)[O-])Nc1cccc(c1)Cn1nc(c(c1C)Br)C
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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 C16H14BrClN6O3 MW 453.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrClN6O3/c1-8-12(17)9(2)23(22-8)7-10-4-3-5-11(6-10)19-16(25)14-13(18)15(21-20-14)24(26)27/h3-6H,7H2,1-2H3,(H,19,25)(H,20,21)InChIKey
FAUQCLPSZGXPFH-UHFFFAOYSA-NSynonyms
1027324-82-81027324828
CC1=C(C(=NN1CC2=CC(=CC=C2)NC(=O)C3=C(C(=NN3)(N+)(=O)(O))Cl)C)Br
InChI=1SC16H14BrClN6O3c1812(17)9(2)23(228)71043511(610)1916(25)1413(18)15(212014)24(26)27h36H7H212H3(H1925)(H2021)
MFCD04048428
N(3((4bromo35dimethyl1Hpyrazol1yl)methyl)phenyl)4chloro5nitro1Hpyrazole3carboxamide
N(3((4BROMO35DIMETHYLPYRAZOL1YL)METHYL)PHENYL)4CHLORO3NITRO1HPYRAZOLE5CARBOXAMIDE
O=C(c1n(nH)c(c1Cl)(N+)(=O)(O))Nc1cccc(c1)Cn1nc(c(c1C)Br)C
ZINC000000652652
ZINC652652
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