Vitas-M small molecule compound

4-cyano-N'-{(E)-[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-fluorobenzohydrazide

Catalog ID
STK198355
SMILES N#Cc1ccc(c(c1)F)C(=O)N/N=C/c1cc(n(c1C)c1cccc(c1)[N+](=O)[O-])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 C21H16FN5O3 MW 405.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16FN5O3/c1-13-8-16(14(2)26(13)17-4-3-5-18(10-17)27(29)30)12-24-25-21(28)19-7-6-15(11-23)9-20(19)22/h3-10,12H,1-2H3,(H,25,28)/b24-12+
InChIKey
BBYZBORXGVJINH-WYMPLXKRSA-N
Synonyms

4CYANON((E)(25DIMETHYL1(3NITROPHENYL)1HPYRROL3YL)METHYLIDENE)2FLUOROBENZOHYDRAZIDE
4cyanoN((E)(25dimethyl1(3nitrophenyl)pyrrol3yl)methylideneamino)2fluorobenzamide
CC1=CC(=C(N1C2=CC(=CC=C2)(N+)(=O)(O))C)C=NNC(=O)C3=C(C=C(C=C3)C#N)F
InChI=1SC21H16FN5O3c113816(14(2)26(13)1743518(1017)27(29)30)12242521(28)197615(1123)920(19)22h31012H12H3(H2528)b2412+
MFCD03249039
N#Cc1ccc(c(c1)F)C(=O)NN=Cc1cc(n(c1C)c1cccc(c1)(N+)(=O)(O))C
ZINC000001101268
ZINC33305226

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Available files

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