Vitas-M small molecule compound

2-({[5-chloro-3-methyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Catalog ID
STK118141
SMILES N#Cc1c(NCc2c(C)nn(c2Cl)c2ccc(cc2)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 C21H21ClN4S MW 396.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4S/c1-13-7-9-15(10-8-13)26-20(22)18(14(2)25-26)12-24-21-17(11-23)16-5-3-4-6-19(16)27-21/h7-10,24H,3-6,12H2,1-2H3
InChIKey
GDQRTAWIZWAUDG-UHFFFAOYSA-N
Synonyms
890647-69-5
2(((5chloro3methyl1(4methylphenyl)1Hpyrazol4yl)methyl)amino)4567tetrahydro1benzothiophene3carbonitrile
2(((5chloro3methyl1(ptolyl)1Hpyrazol4yl)methyl)amino)4567tetrahydrobenzo(b)thiophene3carbonitrile
2((5chloro3methyl1(4methylphenyl)pyrazol4yl)methylamino)4567tetrahydro1benzothiophene3carbonitrile
890647695
CC1=CC=C(C=C1)N2C(=C(C(=N2)C)CNC3=C(C4=C(S3)CCCC4)C#N)Cl
InChI=1SC21H21ClN4Sc1137915(10813)2620(22)18(14(2)2526)12242117(1123)16534619(16)2721h71024H3612H212H3
MFCD03692613
ZINC000002254245
ZINC02254245
ZINC2254245

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Available files

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