Vitas-M small molecule compound
4-{[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]carbonyl}-3-fluorobenzonitrile
Catalog ID
STK259568
SMILES N#Cc1ccc(c(c1)F)C(=O)N1CCN(CC1)c1c(Cl)cccc1[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 C18H14ClFN4O3 MW 388.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClFN4O3/c19-14-2-1-3-16(24(26)27)17(14)22-6-8-23(9-7-22)18(25)13-5-4-12(11-21)10-15(13)20/h1-5,10H,6-9H2InChIKey
ABDMNFLWVVCZMK-UHFFFAOYSA-NSynonyms
4((4(2chloro6nitrophenyl)piperazin1yl)carbonyl)3fluorobenzonitrile
4(4(2CHLORO6NITROPHENYL)PIPERAZINE1CARBONYL)3FLUOROBENZONITRILE
C1CN(CCN1C2=C(C=CC=C2Cl)(N+)(=O)(O))C(=O)C3=C(C=C(C=C3)C#N)F
InChI=1SC18H14ClFN4O3c191421316(24(26)27)17(14)226823(9722)18(25)135412(1121)1015(13)20h1510H69H2
MFCD04218955
N#Cc1ccc(c(c1)F)C(=O)N1CCN(CC1)c1c(Cl)cccc1(N+)(=O)(O)
ZINC000004998722
ZINC04998722
ZINC4998722
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