Vitas-M small molecule compound

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

Catalog ID
STL358649
SMILES N#Cc1c(N/C=C/2\C(=NN(C2=O)c2ccc(c(c2)OC)Cl)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 C20H17ClN4O2S MW 412.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4O2S/c1-11-15(10-23-19-14(9-22)13-4-3-5-18(13)28-19)20(26)25(24-11)12-6-7-16(21)17(8-12)27-2/h6-8,10,23H,3-5H2,1-2H3/b15-10+
InChIKey
IZDHMYUAUXKRLF-XNTDXEJSSA-N
Synonyms

2(((E)(1(4chloro3methoxyphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)56dihydro4Hcyclopenta(b)thiophene3carbonitrile
2(((E)(1(4chloro3methoxyphenyl)3methyl5oxopyrazol4ylidene)methyl)amino)56dihydro4Hcyclopenta(b)thiophene3carbonitrile
CC1=NN(C(=O)C1=CNC2=C(C3=C(S2)CCC3)C#N)C4=CC(=C(C=C4)Cl)OC
InChI=1SC20H17ClN4O2Sc11115(10231914(922)1343518(13)2819)20(26)25(2411)126716(21)17(812)272h681023H35H212H3b1510+
MFCD28033625
N#Cc1c(NC=C2C(=NN(C2=O)c2ccc(c(c2)OC)Cl)C)sc2c1CCC2
ZINC000101128472
ZINC101128472

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Available files

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