Vitas-M small molecule compound
3-fluoro-4-({4-[3-(morpholin-4-yl)-4-nitrophenyl]piperazin-1-yl}carbonyl)benzonitrile
Catalog ID
STK347238
SMILES N#Cc1ccc(c(c1)F)C(=O)N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[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 C22H22FN5O4 MW 439.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN5O4/c23-19-13-16(15-24)1-3-18(19)22(29)27-7-5-25(6-8-27)17-2-4-20(28(30)31)21(14-17)26-9-11-32-12-10-26/h1-4,13-14H,5-12H2InChIKey
FATAYFVLLZBNER-UHFFFAOYSA-NSynonyms
3fluoro4((4(3(morpholin4yl)4nitrophenyl)piperazin1yl)carbonyl)benzonitrile
3FLUORO4(4(3MORPHOLIN4YL4NITROPHENYL)PIPERAZINE1CARBONYL)BENZONITRILE
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))N3CCOCC3)C(=O)C4=C(C=C(C=C4)C#N)F
InChI=1SC22H22FN5O4c23191316(1524)1318(19)22(29)277525(6827)172420(28(30)31)21(1417)2691132121026h141314H512H2
MFCD05829465
N#Cc1ccc(c(c1)F)C(=O)N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)(N+)(=O)(O)
ZINC000012860579
ZINC12860579
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