Vitas-M small molecule compound
4-({(E)-[1-(4-fluorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)phenyl thiocyanate
Catalog ID
STL295845
SMILES N#CSc1ccc(cc1)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 C18H13FN4OS MW 352.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13FN4OS/c1-12-17(10-21-14-4-8-16(9-5-14)25-11-20)18(24)23(22-12)15-6-2-13(19)3-7-15/h2-10,21H,1H3/b17-10+InChIKey
XCBSJBLJPGQYOF-LICLKQGHSA-NSynonyms
(4(((E)(1(4fluorophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)phenyl)thiocyanate
4(((E)(1(4fluorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)phenylthiocyanate
CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)SC#N)C3=CC=C(C=C3)F
InChI=1SC18H13FN4OSc11217(1021144816(9514)251120)18(24)23(2212)156213(19)3715h21021H1H3b1710+
MFCD28033184
N#CSc1ccc(cc1)NC=C1C(=NN(C1=O)c1ccc(cc1)F)C
ZINC000101129538
ZINC101129538
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