Vitas-M small molecule compound

2-({(E)-[3-methyl-1-(naphthalen-1-yl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Catalog ID
STL359344
SMILES N#Cc1c(N/C=C/2\C(=NN(C2=O)c2cccc3c2cccc3)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 C24H20N4OS MW 412.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4OS/c1-15-20(14-26-23-19(13-25)18-10-4-5-12-22(18)30-23)24(29)28(27-15)21-11-6-8-16-7-2-3-9-17(16)21/h2-3,6-9,11,14,26H,4-5,10,12H2,1H3/b20-14+
InChIKey
SIVLCDBIXUANTL-XSFVSMFZSA-N
Synonyms

2(((E)(3methyl1(naphthalen1yl)5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)4567tetrahydro1benzothiophene3carbonitrile
2(((E)(3methyl1naphthalen1yl5oxopyrazol4ylidene)methyl)amino)4567tetrahydro1benzothiophene3carbonitrile
CC1=NN(C(=O)C1=CNC2=C(C3=C(S2)CCCC3)C#N)C4=CC=CC5=CC=CC=C54
InChI=1SC24H20N4OSc11520(14262319(1325)1810451222(18)3023)24(29)28(2715)21116816723917(16)21h2369111426H451012H21H3b2014+
MFCD28033655
N#Cc1c(NC=C2C(=NN(C2=O)c2cccc3c2cccc3)C)sc2c1CCCC2
ZINC000101113110
ZINC101113110

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Available files

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