Vitas-M small molecule compound
4-({(E)-[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)phenyl thiocyanate
Catalog ID
STL295734
SMILES N#CSc1ccc(cc1)N/C=C/1\C(=NN(C1=O)c1cccc(c1)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 C18H13ClN4OS MW 368.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN4OS/c1-12-17(10-21-14-5-7-16(8-6-14)25-11-20)18(24)23(22-12)15-4-2-3-13(19)9-15/h2-10,21H,1H3/b17-10+InChIKey
VWINFLDQEFJILD-LICLKQGHSA-NSynonyms
(4(((E)(1(3chlorophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)phenyl)thiocyanate
4(((E)(1(3chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)phenylthiocyanate
CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)SC#N)C3=CC(=CC=C3)Cl
InChI=1SC18H13ClN4OSc11217(1021145716(8614)251120)18(24)23(2212)1542313(19)915h21021H1H3b1710+
MFCD28033112
N#CSc1ccc(cc1)NC=C1C(=NN(C1=O)c1cccc(c1)Cl)C
ZINC000101122415
ZINC101122415
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