Vitas-M small molecule compound

4-({(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-2,5-dimethylphenyl thiocyanate

Catalog ID
STL359538
SMILES N#CSc1cc(C)c(cc1C)N/C=C/1\C(=NN(C1=O)c1ccc(cc1)I)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 C20H17IN4OS MW 488.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17IN4OS/c1-12-9-19(27-11-22)13(2)8-18(12)23-10-17-14(3)24-25(20(17)26)16-6-4-15(21)5-7-16/h4-10,23H,1-3H3/b17-10+
InChIKey
SCOFKCJLJQNVDR-LICLKQGHSA-N
Synonyms

(4(((E)(1(4iodophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)25dimethylphenyl)thiocyanate
4(((E)(1(4iodophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)25dimethylphenylthiocyanate
CC1=CC(=C(C=C1SC#N)C)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)I)C
InChI=1SC20H17IN4OSc112919(271122)13(2)818(12)23101714(3)2425(20(17)26)166415(21)5716h41023H13H3b1710+
MFCD28033743
N#CSc1cc(C)c(cc1C)NC=C1C(=NN(C1=O)c1ccc(cc1)I)C
ZINC000016268186
ZINC16268186

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Available files

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