Vitas-M small molecule compound
3-bromo-4-({(Z)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)phenyl thiocyanate
Catalog ID
STL359413
SMILES N#CSc1ccc(c(c1)Br)N/C=C\1/C(=NN(C1=O)c1ccc(cc1)Cl)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(9-22-17-7-6-14(26-10-21)8-16(17)19)18(25)24(23-11)13-4-2-12(20)3-5-13/h2-9,22H,1H3/b15-9-InChIKey
VVASUXPWHUOVCF-DHDCSXOGSA-NSynonyms
(3bromo4(((Z)(1(4chlorophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)phenyl)thiocyanate
3bromo4(((Z)(1(4chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)phenylthiocyanate
CC1=NN(C(=O)C1=CNC2=C(C=C(C=C2)SC#N)Br)C3=CC=C(C=C3)Cl
InChI=1SC18H12BrClN4OSc11115(922177614(261021)816(17)19)18(25)24(2311)134212(20)3513h2922H1H3b159
MFCD28033687
N#CSc1ccc(c(c1)Br)NC=C1C(=NN(C1=O)c1ccc(cc1)Cl)C
ZINC000101346735
ZINC101346735
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