Vitas-M small molecule compound
2-({(E)-[3-methyl-1-(naphthalen-1-yl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
Catalog ID
STL295706
SMILES N#Cc1c(N/C=C/2\C(=NN(C2=O)c2cccc3c2cccc3)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 C23H18N4OS MW 398.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4OS/c1-14-19(13-25-22-18(12-24)17-9-5-11-21(17)29-22)23(28)27(26-14)20-10-4-7-15-6-2-3-8-16(15)20/h2-4,6-8,10,13,25H,5,9,11H2,1H3/b19-13+InChIKey
OIRZCHSMSSROHP-CPNJWEJPSA-NSynonyms
2(((3METHYL1(1NAPHTHYL)5OXO15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBONITRILE
2(((E)(3methyl1(naphthalen1yl)5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)56dihydro4Hcyclopenta(b)thiophene3carbonitrile
2(((E)(3methyl1naphthalen1yl5oxopyrazol4ylidene)methyl)amino)56dihydro4Hcyclopenta(b)thiophene3carbonitrile
CC1=NN(C(=O)C1=CNC2=C(C3=C(S2)CCC3)C#N)C4=CC=CC5=CC=CC=C54
InChI=1SC23H18N4OSc11419(13252218(1224)17951121(17)2922)23(28)27(2614)20104715623816(15)20h2468101325H5911H21H3b1913+
MFCD28033093
N#Cc1c(NC=C2C(=NN(C2=O)c2cccc3c2cccc3)C)sc2c1CCC2
ZINC000101122340
ZINC101122340
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