Vitas-M small molecule compound
2-({(Z)-[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK957932
SMILES N#Cc1c(N/C=C\2/C(=NN(C2=O)c2c(Cl)cc(cc2Cl)Cl)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 C20H15Cl3N4OS MW 465.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15Cl3N4OS/c1-10-14(9-25-19-13(8-24)12-4-2-3-5-17(12)29-19)20(28)27(26-10)18-15(22)6-11(21)7-16(18)23/h6-7,9,25H,2-5H2,1H3/b14-9-InChIKey
NNXFLJAJJVKRNG-ZROIWOOFSA-NSynonyms
352702-65-92(((Z)(3methyl5oxo1(246trichlorophenyl)15dihydro4Hpyrazol4ylidene)methyl)amino)4567tetrahydro1benzothiophene3carbonitrile
2(((Z)(3methyl5oxo1(246trichlorophenyl)pyrazol4ylidene)methyl)amino)4567tetrahydro1benzothiophene3carbonitrile
352702659
CC1=NN(C(=O)C1=CNC2=C(C3=C(S2)CCCC3)C#N)C4=C(C=C(C=C4Cl)Cl)Cl
InChI=1SC20H15Cl3N4OSc11014(9251913(824)12423517(12)2919)20(28)27(2610)1815(22)611(21)716(18)23h67925H25H21H3b149
MFCD01648058
N#Cc1c(NC=C2C(=NN(C2=O)c2c(Cl)cc(cc2Cl)Cl)C)sc2c1CCCC2
ZINC000100148463
ZINC100148463
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