Vitas-M small molecule compound
4-cyano-N'-[(E)-{2,5-dimethyl-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]-1H-pyrrol-3-yl}methylidene]-2-fluorobenzohydrazide
Catalog ID
STK199193
SMILES N#Cc1ccc(c(c1)F)C(=O)N/N=C/c1cc(n(c1C)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3)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 C31H31FN4O MW 494.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31FN4O/c1-19-9-25(18-34-35-30(37)28-8-3-21(17-33)13-29(28)32)20(2)36(19)27-6-4-26(5-7-27)31-14-22-10-23(15-31)12-24(11-22)16-31/h3-9,13,18,22-24H,10-12,14-16H2,1-2H3,(H,35,37)/b34-18+InChIKey
UBGXWJHXGKDKAG-FABQOPTDSA-NSynonyms
4cyanoN((E)(25dimethyl1(4(tricyclo(3311~37~)dec1yl)phenyl)1Hpyrrol3yl)methylidene)2fluorobenzohydrazide
CC1=CC(=C(N1C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C)C=NNC(=O)C6=C(C=C(C=C6)C#N)F
InChI=1SC31H31FN4Oc119925(18343530(37)288321(1733)1329(28)32)20(2)36(19)276426(5727)3114221023(1531)1224(1122)1631h3913182224H10121416H212H3(H3537)b3418+
MFCD06150800
N#Cc1ccc(c(c1)F)C(=O)NN=Cc1cc(n(c1C)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3)C
N((E)(1(4(1adamantyl)phenyl)25dimethylpyrrol3yl)methylideneamino)4cyano2fluorobenzamide
ZINC000009265272
ZINC33629812
Check stock
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