Vitas-M small molecule compound
4-({(E)-[1-(4-fluorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-2-nitrophenyl thiocyanate
Catalog ID
STL359428
SMILES N#CSc1ccc(cc1[N+](=O)[O-])N/C=C/1\C(=NN(C1=O)c1ccc(cc1)F)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 C18H12FN5O3S MW 397.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12FN5O3S/c1-11-15(18(25)23(22-11)14-5-2-12(19)3-6-14)9-21-13-4-7-17(28-10-20)16(8-13)24(26)27/h2-9,21H,1H3/b15-9+InChIKey
NPBPQPDUPWSMQC-OQLLNIDSSA-NSynonyms
(4(((E)(1(4fluorophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)2nitrophenyl)thiocyanate
4(((E)(1(4fluorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)2nitrophenylthiocyanate
CC1=NN(C(=O)C1=CNC2=CC(=C(C=C2)SC#N)(N+)(=O)(O))C3=CC=C(C=C3)F
InChI=1SC18H12FN5O3Sc11115(18(25)23(2211)145212(19)3614)921134717(281020)16(813)24(26)27h2921H1H3b159+
MFCD28033694
N#CSc1ccc(cc1(N+)(=O)(O))NC=C1C(=NN(C1=O)c1ccc(cc1)F)C
ZINC000101123746
ZINC101123746
Check stock
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