Vitas-M small molecule compound

2-({(E)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile

Catalog ID
STL295702
SMILES N#Cc1c(N/C=C/2\C(=NN(C2=O)c2ccc(cc2C)C)C)sc2c1CCC2

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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/c1-12-7-8-18(13(2)9-12)25-21(26)17(14(3)24-25)11-23-20-16(10-22)15-5-4-6-19(15)27-20/h7-9,11,23H,4-6H2,1-3H3/b17-11+
InChIKey
BUJNXELMCHLEKS-GZTJUZNOSA-N
Synonyms

2(((E)(1(24dimethylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)56dihydro4Hcyclopenta(b)thiophene3carbonitrile
2(((E)(1(24dimethylphenyl)3methyl5oxopyrazol4ylidene)methyl)amino)56dihydro4Hcyclopenta(b)thiophene3carbonitrile
CC1=CC(=C(C=C1)N2C(=O)C(=CNC3=C(C4=C(S3)CCC4)C#N)C(=N2)C)C
InChI=1SC21H20N4OSc1127818(13(2)912)2521(26)17(14(3)2425)11232016(1022)1554619(15)2720h791123H46H213H3b1711+
MFCD28033089
N#Cc1c(NC=C2C(=NN(C2=O)c2ccc(cc2C)C)C)sc2c1CCC2
ZINC000101122257
ZINC05489170
ZINC101122257

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Available files

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