Vitas-M small molecule compound
2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-(3-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK380583
SMILES Cc1ccc2c(c1)[nH]c(n2)c1ccc(cc1)N1N=C(CC1=O)c1cccc(c1)[N+](=O)[O-]
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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 C23H17N5O3 MW 411.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N5O3/c1-14-5-10-19-21(11-14)25-23(24-19)15-6-8-17(9-7-15)27-22(29)13-20(26-27)16-3-2-4-18(12-16)28(30)31/h2-12H,13H2,1H3,(H,24,25)InChIKey
FAGVJVIHDVHUGU-UHFFFAOYSA-NSynonyms
1(4(6METHYLBENZIMIDAZOL2YL)PHENYL)3(3NITROPHENYL)2PYRAZOLIN5ONE
2(4(6methyl1Hbenzimidazol2yl)phenyl)5(3nitrophenyl)24dihydro3Hpyrazol3one
2(4(6METHYL1HBENZIMIDAZOL2YL)PHENYL)5(3NITROPHENYL)4HPYRAZOL3ONE
CC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)N4C(=O)CC(=N4)C5=CC(=CC=C5)(N+)(=O)(O)
Cc1ccc2c(c1)(nH)c(n2)c1ccc(cc1)N1N=C(CC1=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC23H17N5O3c1145101921(1114)2523(2419)156817(9715)2722(29)1320(2627)1632418(1216)28(30)31h212H13H21H3(H2425)
MFCD02105291
ZINC000004113039
ZINC04113039
ZINC4113039
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