Vitas-M small molecule compound
4-({(Z)-[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-2-chlorophenyl thiocyanate
Catalog ID
STL359374
SMILES N#CSc1ccc(cc1Cl)N/C=C\1/C(=NN(C1=O)c1ccc(cc1)Br)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 C18H12BrClN4OS MW 447.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12BrClN4OS/c1-11-15(9-22-13-4-7-17(26-10-21)16(20)8-13)18(25)24(23-11)14-5-2-12(19)3-6-14/h2-9,22H,1H3/b15-9-InChIKey
HBUWKUNXAQOJAD-DHDCSXOGSA-NSynonyms
(4(((Z)(1(4bromophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)2chlorophenyl)thiocyanate
4(((Z)(1(4bromophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)2chlorophenylthiocyanate
CC1=NN(C(=O)C1=CNC2=CC(=C(C=C2)SC#N)Cl)C3=CC=C(C=C3)Br
InChI=1SC18H12BrClN4OSc11115(922134717(261021)16(20)813)18(25)24(2311)145212(19)3614h2922H1H3b159
MFCD28033667
N#CSc1ccc(cc1Cl)NC=C1C(=NN(C1=O)c1ccc(cc1)Br)C
ZINC000095471498
ZINC95471498
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