Vitas-M small molecule compound
2-{3-[(Z)-{(2E)-2-[(2,3-dichlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK153160
SMILES N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\S/C(=N/c2cccc(c2Cl)Cl)/NC1=O
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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 C25H20Cl2N4OS2 MW 527.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20Cl2N4OS2/c1-13-10-15(14(2)31(13)24-17(12-28)16-6-3-4-9-20(16)33-24)11-21-23(32)30-25(34-21)29-19-8-5-7-18(26)22(19)27/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H,29,30,32)/b21-11-InChIKey
FDTIBAMKFYCJKG-NHDPSOOVSA-NSynonyms
2(3((Z)((2E)2((23dichlorophenyl)imino)4oxo13thiazolidin5ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((Z)(2(23dichloroanilino)4oxo13thiazol5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=C4C(=O)N=C(S4)NC5=C(C(=CC=C5)Cl)Cl
InChI=1SC25H20Cl2N4OS2c1131015(14(2)31(13)2417(1228)16634920(16)3324)112123(32)3025(3421)291985718(26)22(19)27h5781011H3469H212H3(H293032)b2111
MFCD02237560
N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1SC(=Nc2cccc(c2Cl)Cl)NC1=O
ZINC000097960144
ZINC97960144
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