Vitas-M small molecule compound
2-chloro-4-({(Z)-[1-(4-fluorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)phenyl thiocyanate
Catalog ID
STL359534
SMILES N#CSc1ccc(cc1Cl)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 C18H12ClFN4OS MW 386.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClFN4OS/c1-11-15(9-22-13-4-7-17(26-10-21)16(19)8-13)18(25)24(23-11)14-5-2-12(20)3-6-14/h2-9,22H,1H3/b15-9-InChIKey
FDOBHYVSLIVXCA-DHDCSXOGSA-NSynonyms
(2chloro4(((Z)(1(4fluorophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)phenyl)thiocyanate
2chloro4(((Z)(1(4fluorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)phenylthiocyanate
CC1=NN(C(=O)C1=CNC2=CC(=C(C=C2)SC#N)Cl)C3=CC=C(C=C3)F
InChI=1SC18H12ClFN4OSc11115(922134717(261021)16(19)813)18(25)24(2311)145212(20)3614h2922H1H3b159
MFCD28033741
N#CSc1ccc(cc1Cl)NC=C1C(=NN(C1=O)c1ccc(cc1)F)C
ZINC000095471566
ZINC95471566
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