Vitas-M small molecule compound
2-({(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK869881
SMILES N#Cc1c(N/C=C\2/C(=NN(C2=O)c2ccc(cc2)C)C)sc2c1CCCC2
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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 C21H20N4OS MW 376.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4OS/c1-13-7-9-15(10-8-13)25-21(26)18(14(2)24-25)12-23-20-17(11-22)16-5-3-4-6-19(16)27-20/h7-10,12,23H,3-6H2,1-2H3/b18-12-InChIKey
NTQIYVSTPPRHKX-PDGQHHTCSA-NSynonyms
(Z)2(((3methyl5oxo1(ptolyl)1Hpyrazol4(5H)ylidene)methyl)amino)4567tetrahydrobenzo(b)thiophene3carbonitrile
2(((Z)(3methyl1(4methylphenyl)5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)4567tetrahydro1benzothiophene3carbonitrile
2(((Z)(3methyl1(4methylphenyl)5oxopyrazol4ylidene)methyl)amino)4567tetrahydro1benzothiophene3carbonitrile
CC1=CC=C(C=C1)N2C(=O)C(=CNC3=C(C4=C(S3)CCCC4)C#N)C(=N2)C
InChI=1SC21H20N4OSc1137915(10813)2521(26)18(14(2)2425)12232017(1122)16534619(16)2720h7101223H36H212H3b1812
MFCD01079953
N#Cc1c(NC=C2C(=NN(C2=O)c2ccc(cc2)C)C)sc2c1CCCC2
ZINC000100535493
ZINC05504577
ZINC100535493
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